LeMaterial/LeMat-BulkUnique · Datasets at Hugging Face

[ "As", "Cl", "Cs", "Sr" ]

12

A8B2CD

AsCl8CsSr2

Cs1 Sr2 As1 Cl8

4

[ 1, 1, 1 ]

3

[ [ 6.61283348, -0.00002885, -0.00025921 ], [ 0.04460107, 6.57172519, 0.0013676 ], [ 0.01159776, 0.02174406, 9.23101316 ] ]

agm004914779

[ [ 0.00579888, 0.01087203, 4.61550658 ], [ 3.3368457475045323, 3.299605464695506, 6.969901122579946 ], [ 3.3321865624954676, 3.293834935304494, 2.2622204274200537 ], [ 0, 0, 0 ], [ 1.0483131825619063, 5.086784341143933, 1.7606372077682653 ], [ 4.589595769310617, 5.006090828136913, 9.226888480594761 ], [ 5.600056462970123, 1.4820907599803084, 1.7547949407079322 ], [ 5.620719127438094, 1.5066560588560667, 7.471484342231735 ], [ 2.0794365406893824, 1.5873495718630872, 0.0052330694052375995 ], [ 1.0689758470298765, 5.111349640019692, 7.477326609292067 ], [ 3.884706119859493, 4.859317321870181, 4.6131400462801775 ], [ 2.7843261901405065, 1.734123078129819, 4.618981503719822 ] ]

[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]

[ "Cs", "Sr", "Sr", "As", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl" ]

2023-11-16 06:57:59

[ 0.08333333333333333, 0.6666666666666666, 0.08333333333333333, 0.16666666666666666 ]

[ [ -0.3150549, -0.0229152, -0.00202717 ], [ -0.02291526, -0.36348695, -0.00039554 ], [ -0.00202723, -0.00039563, -0.30744982 ] ]

-44.276144

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ -0.0000901, -0.00003826, 0.00182999 ], [ 0.0000901, 0.00003826, -0.00182999 ], [ 0, 0, 0 ], [ 0.00184104, 0.00198959, -0.00097727 ], [ 0.00403122, -0.00194112, 0.00025176 ], [ -0.00140858, -0.00197815, -0.00066459 ], [ -0.00184104, -0.00198959, 0.00097727 ], [ -0.00403122, 0.00194112, -0.00025176 ], [ 0.00140858, 0.00197815, 0.00066459 ], [ 0.00196016, -0.00196375, 0.0000995 ], [ -0.00196016, 0.00196375, -0.0000995 ] ]

0

pbe

true

a82745d346dee935464eff25b3979202_2_Cs1Sr2As1Cl8

[ "Be", "P" ]

15

A3B2

Be3P2

Be9 P6

2

[ 1, 1, 1 ]

3

[ [ 5.58583892, 0, 0 ], [ -2.79291946, 4.8374784, 0 ], [ 0, 0, 19.81142718 ] ]

agm2000041903

[ [ 3.8095647102292367, 0, 12.719465412779977 ], [ -1.9047823551146184, 3.2991798122127363, 12.719465412779977 ], [ 0.8881371048853816, 1.5382985877872641, 12.719465412779977 ], [ -2.7929194810600995e-8, 3.224985616124928, 11.444340940279462 ], [ 2.7929194879291943, 1.612492783875072, 11.444340940279462 ], [ 0, 0, 11.342857498892728 ], [ -1.0246540026391757, 3.810181618520064, 7.90803823601829 ], [ 0.005532382441535643, 2.045011195496448, 7.90803823601829 ], [ 1.0191216201976403, 3.819763985983488, 7.90803823601829 ], [ 3.8120410801976403, 1.017714414016512, 7.90803823601829 ], [ 1.7682654573608236, 1.027296781479936, 7.90803823601829 ], [ 2.798451842441535, 2.792467204503552, 7.90803823601829 ], [ 2.7300962558258193, 0, 9.5825133349281 ], [ -1.3650481279129096, 2.364332709307392, 9.5825133349281 ], [ 1.4278713320870902, 2.473145690692608, 9.5825133349281 ] ]

[{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]

[ "P", "P", "P", "P", "P", "P", "Be", "Be", "Be", "Be", "Be", "Be", "Be", "Be", "Be" ]

2023-11-16 06:57:59

[ 0.6, 0.4 ]

[ [ -0.05115821, 0, 0 ], [ 0, -0.05115821, 0 ], [ 0, 0, -1.1374949 ] ]

-55.947449

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.0019217, 0, -0.0093273 ], [ 0.00096085, -0.00166425, -0.0093273 ], [ 0.00096085, 0.00166425, -0.0093273 ], [ 0, 0, -0.01073865 ], [ 0, 0, -0.01073865 ], [ 0, 0, -0.01159898 ], [ 0.00184591, -0.00245412, 0.00925532 ], [ 0.00120237, 0.00282567, 0.00925532 ], [ -0.00304828, -0.00037155, 0.00925532 ], [ -0.00304828, 0.00037155, 0.00925532 ], [ 0.00184591, 0.00245412, 0.00925532 ], [ 0.00120237, -0.00282567, 0.00925532 ], [ -0.00534157, 0, 0.00184209 ], [ 0.00267078, -0.00462593, 0.00184209 ], [ 0.00267078, 0.00462593, 0.00184209 ] ]

0.000178

5.701326

pbe

true

08edac4b57b63853e13bc74065c57b0e_157_Be9P6

[ "Ba", "Be", "Sc" ]

4

A2BC

Ba2BeSc

Ba2 Sc1 Be1

3

[ 1, 1, 1 ]

3

[ [ 7.17349552, 0.00283689, -0.00366578 ], [ 3.74922473, 6.11574687, 0.00366576 ], [ -4.728933, -4.36680563, 3.16658502 ] ]

agm004073902

[ [ 3.0090368990812673, 2.834445550158927, 1.5851253835933705 ], [ 0.41007689725402585, -1.488084782066744, 3.166585010590238 ], [ 0.070089129754605, 0.039261850642843196, -1.2833639999948964e-10 ], [ 3.437011448910103, -0.9413582387350263, 1.5814596159447278 ] ]

[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]

[ "Sc", "Be", "Ba", "Ba" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 0.29943663, -0.0099703, 0.01094988 ], [ -0.0099703, 0.3116503, -0.01954795 ], [ 0.01094988, -0.01954795, 0.2959684 ] ]

-12.254083

[ 0, 0, 0, 0 ]

[ [ 0.00070561, 0.00039526, 0 ], [ 0.00788937, 0.00441939, 0 ], [ -0.00460668, -0.00258053, 0 ], [ -0.0039883, -0.00223413, 0 ] ]

-0.001072

5.833875

pbe

true

c6ca4396e7e48f10846a9c4fa3bbc195_44_Ba2Sc1Be1

[ "Be", "Cd", "Sc" ]

5

A3BC

BeCdSc3

Sc3 Be1 Cd1

3

[ 1, 1, 1 ]

3

[ [ 4.8556479, 0, 0 ], [ 0, 4.8556479, 0 ], [ 0, 0, 4.8556479 ] ]

agm002420191

[ [ 0, 2.42782395, 0 ], [ 0, 0, 2.42782395 ], [ 2.42782395, 0, 0 ], [ 0, 0, 0 ], [ 2.42782395, 2.42782395, 2.42782395 ] ]

[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]

[ "Sc", "Sc", "Sc", "Be", "Cd" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.6 ]

[ [ 3.2560754, 0, 0 ], [ 0, 3.2560754, 0 ], [ 0, 0, 3.2560754 ] ]

-22.776777

[ 0.203, 0.147, 0.195, 0.021, 0.051 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

1.239746

9.719183

pbe

true

8a9b4dfcbc8a411e9891ae8766f47314_221_Sc3Be1Cd1

[ "Be", "Li", "Nb" ]

12

ABC

BeLiNb

Li4 Be4 Nb4

3

[ 1, 1, 1 ]

3

[ [ 5.65257388, 0, 0 ], [ 0, 3.82090047, 0 ], [ 0, 0, 7.47797455 ] ]

agm003089979

[ [ 4.323221734590351, 0.9552251175, 6.067024404306105 ], [ 4.155639085409649, 2.8656753525000003, 2.3280371293061055 ], [ 1.3293521454096484, 2.8656753525000003, 1.4109501456938944 ], [ 1.4969347945903517, 0.9552251175, 5.149937420693894 ], [ 2.517634078485174, 0.9552251175, 2.7182273721607353 ], [ 0.308652861514826, 2.8656753525000003, 6.457214647160735 ], [ 3.1349398015148258, 2.8656753525000003, 4.759747177839264 ], [ 5.343921018485174, 0.9552251175, 1.0207599028392644 ], [ 5.061909529027131, 0.9552251175, 3.86365557991287 ], [ 3.416951290972869, 2.8656753525000003, 0.12466830491287 ], [ 0.5906643509728688, 2.8656753525000003, 3.61431897008713 ], [ 2.2356225890271313, 0.9552251175, 7.35330624508713 ] ]

[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}]

[ "Be", "Be", "Be", "Be", "Nb", "Nb", "Nb", "Nb", "Li", "Li", "Li", "Li" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ -1.5043322, 0, 0 ], [ 0, -1.197884, 0 ], [ 0, 0, 2.0628054 ] ]

-60.035255

[ 0, 0, 0, 0, -0.001, 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.00656689, 0, -0.00193543 ], [ 0.00656689, 0, -0.00193543 ], [ 0.00656689, 0, 0.00193543 ], [ -0.00656689, 0, 0.00193543 ], [ -0.00440116, 0, 0.02238355 ], [ 0.00440116, 0, 0.02238355 ], [ 0.00440116, 0, -0.02238355 ], [ -0.00440116, 0, -0.02238355 ], [ 0.00052447, 0, -0.00081276 ], [ -0.00052447, 0, -0.00081276 ], [ -0.00052447, 0, 0.00081276 ], [ 0.00052447, 0, 0.00081276 ] ]

0

7.724684

pbe

true

07eb0f7e095fcffeb53b0a3d3aec69d1_62_Li4Be4Nb4

[ "Br", "Na", "Sc" ]

11

A7B2C2

Br7Na2Sc2

Na2 Sc2 Br7

3

[ 1, 1, 1 ]

3

[ [ 7.27631869, 0.17790902, 0.25673559 ], [ -0.60915966, 7.73377785, -0.28556628 ], [ -0.60915966, -2.98322765, 7.14095377 ] ]

agm003326121

[ [ 3.028999685, 0.24417641420190975, 5.09448284347522 ], [ 3.028999685, 4.68428280579809, 2.0176402365247808 ], [ 6.1353734159991715, 1.5615817958950682, 2.25347546952106 ], [ -0.07737404599917228, 3.366877424104932, 4.85864761047894 ], [ 0.9931269095338421, 5.544302272465038, 3.9162978070568366 ], [ 5.064872460466158, 3.208555940668221, 0.5456469370540971 ], [ 5.064872460466158, -0.6158430524650385, 3.1958252729431633 ], [ 0.993126909533842, 1.719903279331779, 6.566476142945903 ], [ 0, 0, 0 ], [ 4.793301856731439, 2.9250524391415005, 4.221062210420093 ], [ 1.2646975132685605, 2.0034067808584988, 2.8910608695799076 ] ]

[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]

[ "Na", "Na", "Sc", "Sc", "Br", "Br", "Br", "Br", "Br", "Br", "Br" ]

2023-11-16 06:57:59

[ 0.6363636363636364, 0.18181818181818182, 0.18181818181818182 ]

[ [ 0.76418024, -0.0182941, -0.02639971 ], [ -0.01829414, 0.73275554, -0.0435452 ], [ -0.02639976, -0.0435452, 0.700092 ] ]

-43.893698

[ 0, 0, 0.391, 0.391, -0.003, -0.003, -0.003, -0.003, 0.001, 0.001, 0.001 ]

[ [ 0, -0.00150696, 0.00104427 ], [ 0, 0.00150696, -0.00104427 ], [ 0.00260357, -0.00144385, -0.00208358 ], [ -0.00260357, 0.00144385, 0.00208358 ], [ -0.00222535, -0.00232024, 0.00352307 ], [ 0.00222535, -0.00411349, 0.00093529 ], [ 0.00222535, 0.00232024, -0.00352307 ], [ -0.00222535, 0.00411349, -0.00093529 ], [ 0, 0, 0 ], [ 0.00113584, -0.00046975, -0.00067789 ], [ -0.00113584, 0.00046975, 0.00067789 ] ]

1.028792

1.066203

pbe

true

ed3300f51c0ae086f36a02c117620a9f_12_Na2Sc2Br7

[ "Ca", "P", "Re" ]

4

A2BC

CaP2Re

Ca1 Re1 P2

3

[ 1, 1, 1 ]

3

[ [ 5.43892261, 0.00246941, -1e-8 ], [ 2.81125386, 4.65604306, -1e-8 ], [ -4.12508546, -2.32925467, 2.67210177 ] ]

agm004399148

[ [ 2.7194626925, 0.001235487500000021, 1.336050875 ], [ 0, 0, 0 ], [ 1.4056283174999997, 2.3280223125, 1.336050875 ], [ 4.125088235, 2.329256235, -1e-8 ] ]

[{"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]

[ "Ca", "P", "P", "Re" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 2.4573352, 0.04173698, 0.00000247 ], [ 0.04173698, 2.4069865, 0.0000014 ], [ 0.00000247, 0.0000014, 2.3834295 ] ]

-23.87528

[ 0.03, -0.034, -0.01, 1.305 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

1.484854

2.882464

pbe

true

488d484b9366c73955db53a131227466_119_Ca1Re1P2

[ "Ce", "In", "Mg" ]

10

A2B2C

Ce2InMg2

Ce4 Mg4 In2

3

[ 1, 1, 1 ]

3

[ [ 5.05540414, 0, 0 ], [ 0, 7.30328615, 0 ], [ 0, 0, 7.30328615 ] ]

agm002219884

[ [ 0, 2.576953709163998, 6.228596784163998 ], [ 0, 6.228596784163998, 4.726332440836002 ], [ 0, 4.726332440836002, 1.074689365836002 ], [ 0, 1.074689365836002, 2.576953709163998 ], [ 2.52770207, 1.010495087300455, 4.662138162300455 ], [ 2.52770207, 2.641147987699545, 1.010495087300455 ], [ 2.52770207, 4.662138162300455, 6.2927910626995445 ], [ 2.52770207, 6.2927910626995445, 2.641147987699545 ], [ 0, 0, 0 ], [ 0, 3.651643075, 3.651643075 ] ]

[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]

[ "Mg", "Mg", "Mg", "Mg", "Ce", "Ce", "Ce", "Ce", "In", "In" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.4 ]

[ [ 3.617173, 0, 0 ], [ 0, 2.5058117, 0 ], [ 0, 0, 2.5058117 ] ]

-36.096395

[ -0.001, -0.001, -0.001, -0.001, 0.652, 0.645, 0.645, 0.651, -0.008, -0.008 ]

[ [ 0, 0.00602502, 0.00602502 ], [ 0, 0.00602502, -0.00602502 ], [ 0, -0.00602502, -0.00602502 ], [ 0, -0.00602502, 0.00602502 ], [ 0, -0.02779341, -0.02779341 ], [ 0, 0.02779341, -0.02779341 ], [ 0, -0.02779341, 0.02779341 ], [ 0, 0.02779341, 0.02779341 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

2.906314

15.438337

pbe

true

02de749bdb780402b4ddc76655384092_127_Ce4Mg4In2

[ "Ga", "P", "Y" ]

4

A2BC

GaPY2

Y2 Ga1 P1

3

[ 1, 1, 1 ]

3

[ [ 3.80835651, 0, 0 ], [ 1.90417825, 3.29813348, 0 ], [ 1.90417825, 1.09937783, 9.25179217 ] ]

agm001935899

[ [ 1.9041801552685889, 1.0993789282874908, 6.225524474938481 ], [ 5.7125328547314105, 3.2981323817125094, 3.0262676950615193 ], [ 3.808356505, 2.1987556550000003, 4.625896085 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Y", "Y", "P", "Ga" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 0.8475899, 0, 0 ], [ 0, 0.8475899, 0 ], [ 0, 0, 0.60486376 ] ]

-23.673306

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0.00225872 ], [ 0, 0, -0.00225872 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000908

4.425817

pbe

true

a4e75b3ab5fcd27e823a2d27a7d065dc_166_Y2Ga1P1

[ "Ga", "Pm", "Sm" ]

12

A3B2C

Ga2PmSm3

Pm2 Sm6 Ga4

3

[ 1, 1, 1 ]

3

[ [ 7.02390097, 0, 0 ], [ 0, 7.40677916, 0 ], [ -3.51195048, -3.70338958, 7.2871716 ] ]

agm003421107

[ [ 0, 3.70338958, 0 ], [ 0, 0, 0 ], [ 3.511950485, 1.85169479, 0 ], [ 3.511950485, 5.55508437, 0 ], [ 3.5119539997013094, -1.85169849338958, 4.009146180340271 ], [ -0.0000035097013094229032, 1.85169849338958, 3.278025419659728 ], [ -0.0000035097013094229032, 5.55508807338958, 3.278025419659728 ], [ 3.5119539997013094, 1.85169108661042, 4.009146180340271 ], [ 1.3946359637699872, -0.0000037404234757845676, 5.285247178091316 ], [ 4.906579422616208, 0.0000037404234757845676, 2.001924421908684 ], [ -1.3946289326162074, 3.7033858395765242, 5.285247178091316 ], [ 2.1173145262300124, 3.7033933204234764, 2.001924421908684 ] ]

[{"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]

[ "Pm", "Pm", "Sm", "Sm", "Sm", "Sm", "Sm", "Sm", "Ga", "Ga", "Ga", "Ga" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.16666666666666666, 0.5 ]

[ [ 0.85815597, 0, 0 ], [ 0, 1.2635918, 0 ], [ 0, 0, 1.1838557 ] ]

-52.167479

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

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-0.000994

15.206585

pbe

true

85694074ff12fc8645427a6644f66695_72_Pm2Sm6Ga4

[ "Co", "Mg", "Tm" ]

19

A15B2C2

Co15Mg2Tm2

Tm2 Mg2 Co15

3

[ 1, 1, 1 ]

3

[ [ 6.27395028, -0.03278882, 0.78377694 ], [ 0.6879072, 6.23620978, 0.78377694 ], [ -0.03679729, -0.03278882, 6.32261087 ] ]

agm005549145

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[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]

[ "Tm", "Tm", "Mg", "Mg", "Co", "Co", "Co", "Co", "Co", "Co", "Co", "Co", "Co", "Co", "Co", "Co", "Co", "Co", "Co" ]

2023-11-16 06:57:59

[ 0.7894736842105263, 0.10526315789473684, 0.10526315789473684 ]

[ [ 2.4827912, -0.00539807, -0.0069021 ], [ -0.00539807, 2.4840395, -0.00615028 ], [ -0.0069021, -0.00615028, 2.4809854 ] ]

-120.269194

[ -0.373, -0.373, -0.034, -0.034, 1.426, 1.426, 1.426, 1.506, 1.506, 1.506, 1.506, 1.506, 1.506, 1.4, 1.4, 1.4, 1.4, 1.4, 1.4 ]

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20.342197

21.341473

pbe

true

8a0804cd21da3b37645c55a9bd4af21c_166_Tm2Mg2Co15

[ "Cs", "H", "I" ]

10

A5B4C

Cs5H4I

Cs5 H4 I1

3

[ 1, 1, 1 ]

3

[ [ 4.54672609, 1e-8, 1.03857807 ], [ 1.92636907, 7.50790321, 2.03837348 ], [ -0.19849113, -0.23817744, 11.34065996 ] ]

agm006127134

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[{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]

[ "Cs", "Cs", "Cs", "Cs", "Cs", "H", "H", "H", "H", "I" ]

2023-11-16 06:57:59

[ 0.5, 0.4, 0.1 ]

[ [ 2.1016564, 0.01568914, -0.02256687 ], [ 0.01568915, 2.0441387, -0.06868396 ], [ -0.02256687, -0.06868392, 2.1952946 ] ]

-23.397633

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0.00062918, -0.00031589, -0.00275443 ], [ -0.00062918, 0.00031589, 0.00275443 ], [ 0.00065262, -0.00069941, -0.00285708 ], [ 0, 0, 0 ], [ -0.00065262, 0.00069941, 0.00285708 ], [ 0.00001723, 0.00213985, -0.00007541 ], [ -0.00047725, -0.00171288, 0.00208931 ], [ 0.00047725, 0.00171288, -0.00208931 ], [ -0.00001723, -0.00213985, 0.00007541 ], [ 0, 0, 0 ] ]

-0.000014

0

pbe

true

1a1f3325d78c9626d93b840d3da111cd_12_Cs5H4I1

[ "Cu", "Ir", "V" ]

4

A2BC

CuIrV2

V2 Cu1 Ir1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.01437998, 3.01437998 ], [ 3.01437998, 0, 3.01437998 ], [ 3.01437998, 3.01437998, 0 ] ]

agm002747193

[ [ 3.01437998, 3.01437998, 3.01437998 ], [ 0, 0, 0 ], [ 1.50718999, 1.50718999, 1.50718999 ], [ 4.52156997, 4.52156997, 4.52156997 ] ]

[{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]

[ "Ir", "Cu", "V", "V" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 0.863575, 0, 0 ], [ 0, 0.863575, 0 ], [ 0, 0, 0.863575 ] ]

-31.343643

[ 0.039, 0.065, 0.875, 0.875 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

2.049269

5.439006

pbe

true

7b8532a8fdb3a6a645db5822e23e2205_225_V2Cu1Ir1

[ "Dy", "Tb", "Tm" ]

13

A7B4C2

Dy2Tb4Tm7

Tb4 Dy2 Tm7

3

[ 1, 1, 1 ]

3

[ [ 7.56569183, -4.09446253, 1.42209314 ], [ -7.28436137, 12.77831494, -0.22891083 ], [ 0.97543432, 1.37355177, 6.44257572 ] ]

agm005642774

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[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]

[ "Tb", "Tb", "Tb", "Tb", "Dy", "Dy", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm" ]

2023-11-16 06:57:59

[ 0.15384615384615385, 0.3076923076923077, 0.5384615384615384 ]

[ [ 2.8490353, -0.12550656, 0.07861304 ], [ -0.12550662, 2.8922007, 0.03387105 ], [ 0.07861311, 0.03387121, 2.8562005 ] ]

-57.947454

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0.00369383, 0.00472913, -0.00123593 ], [ -0.00369383, -0.00472913, 0.00123593 ], [ -0.00469306, -0.00123069, -0.00465097 ], [ 0.00469306, 0.00123069, 0.00465097 ], [ 0.00205717, 0.00096041, -0.00170731 ], [ -0.00205717, -0.00096041, 0.00170731 ], [ 0.00412362, 0.0019743, 0.00168348 ], [ -0.00412362, -0.0019743, -0.00168348 ], [ 0, 0, 0 ], [ -0.00035444, -0.00337626, 0.00140405 ], [ 0.00035444, 0.00337626, -0.00140405 ], [ 0.00636066, -0.00082602, 0.0016168 ], [ -0.00636066, 0.00082602, -0.0016168 ] ]

-0

22.653767

pbe

true

b9d2fe0aba3800356688bbfd3616ba63_2_Tb4Dy2Tm7

[ "Ho", "Se", "Zn" ]

10

A5B4C

Ho5Se4Zn

Ho5 Zn1 Se4

3

[ 1, 1, 1 ]

3

[ [ 5.18497582, 0, 2.50085414 ], [ 2.59248791, 6.4478581, 1.25042706 ], [ -0.20867925, 1e-8, 7.05803829 ] ]

agm006091478

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[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]

[ "Ho", "Ho", "Ho", "Ho", "Ho", "Zn", "Se", "Se", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.5, 0.4, 0.1 ]

[ [ 0.4214654, 0, -0.00668123 ], [ 0, 0.43531746, 1e-8 ], [ -0.00668123, -1e-8, 0.43209508 ] ]

-52.846483

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.00132332, 0.00053506, 0.00226459 ], [ 0.00004501, 0.00261462, -0.00057234 ], [ -0.00041989, -0.00261462, 0.00039152 ], [ 0.00094844, -0.00053506, -0.00244541 ], [ 0.00217484, 0, 0.00104898 ], [ 0.00029775, 0, 0.00014361 ], [ -0.00025616, -0.00029488, -0.00056963 ], [ -0.00055881, -0.00040178, 0.00005786 ], [ -0.0003026, 0.00040178, -0.00047334 ], [ -0.00060525, 0.00029488, 0.00015414 ] ]

-0.000002

2.840751

pbe

true

596aa1e470049d0c0ecd4a2ffd258d43_87_Ho5Zn1Se4

[ "I", "Na", "Tl" ]

12

A4BC

I4NaTl

Na2 Tl2 I8

3

[ 1, 1, 1 ]

3

[ [ 7.58958499, 0.01508179, 0 ], [ -0.20458698, 7.58684205, 0 ], [ 0, 0, 10.51779365 ] ]

agm005775902

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[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}]

[ "Na", "Na", "Tl", "Tl", "I", "I", "I", "I", "I", "I", "I", "I" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.16666666666666666, 0.16666666666666666 ]

[ [ 0.7922689, -0.00917077, 0 ], [ -0.00917077, 0.7917378, 0 ], [ 0, 0, 0.86962646 ] ]

-26.732196

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0.00358985, -0.00348741, 0 ], [ -0.00358985, 0.00348741, 0 ], [ 0.00086121, 0.00088651, 0 ], [ -0.00086121, -0.00088651, 0 ], [ -0.00138227, -0.00117598, -0.00103381 ], [ 0.00138227, 0.00117598, -0.00103381 ], [ -0.00113548, -0.00141573, 0.00103381 ], [ 0.0027535, 0.00095223, 0.00391091 ], [ 0.00113548, 0.00141573, 0.00103381 ], [ -0.00087214, -0.00277991, -0.00391091 ], [ 0.00087214, 0.00277991, -0.00391091 ], [ -0.0027535, -0.00095223, 0.00391091 ] ]

0

pbe

true

4a508f14b0c2c9fddc3e064236b04173_20_Na2Tl2I8

[ "Ir", "Pt", "Y" ]

4

A2BC

Ir2PtY

Y1 Ir2 Pt1

3

[ 1, 1, 1 ]

3

[ [ 4.642225, 0, 0 ], [ 2.3211125, 4.02028478, 0 ], [ 2.3211125, 1.34009493, 3.79036084 ] ]

agm003953044

[ [ 0, 0, 0 ], [ 2.3211125, 1.3400949275, 0.94759021 ], [ 4.642225, 2.680189855, 1.89518042 ], [ 6.9633375, 4.0202847825, 2.84277063 ] ]

[{"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Ir", "Ir", "Pt", "Y" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 5.4390287, 0, 0 ], [ 0, 5.4390287, 0 ], [ 0, 0, 5.4390287 ] ]

-30.828635

[ 0.432, 0.359, 0.023, -0.013 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.79335

5.705254

pbe

true

fd9c810a828603bf9ee640264c145102_216_Y1Ir2Pt1

[ "Ir", "Tb", "Te" ]

10

A5B4C

IrTb4Te5

Tb4 Te5 Ir1

3

[ 1, 1, 1 ]

3

[ [ 4.23545807, 0, 0 ], [ 0, 8.50562015, -0.41533824 ], [ -2.11772904, -1.64391606, 9.19064082 ] ]

agm003656984

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[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]

[ "Tb", "Tb", "Tb", "Tb", "Te", "Te", "Te", "Te", "Te", "Ir" ]

2023-11-16 06:57:59

[ 0.1, 0.4, 0.5 ]

[ [ 0.40334758, 0, 0 ], [ 0, 0.41467223, 0.03671959 ], [ 0, 0.03671967, 0.42188147 ] ]

-53.324726

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, -0.00284076, -0.00121409 ], [ 0, -0.00467606, 0.00039102 ], [ 0, 0.00284076, 0.00121409 ], [ 0, 0.00467606, -0.00039102 ], [ 0, 0.00107336, 0.00123603 ], [ 0, 0.00033391, -0.00429053 ], [ 0, -0.00033391, 0.00429053 ], [ 0, 0, 0 ], [ 0, -0.00107336, -0.00123603 ], [ 0, 0, 0 ] ]

0.000059

5.932156

pbe

true

5bb96ad571482ee7a41d8179ce9115f5_12_Tb4Te5Ir1

[ "Nd", "Tb", "Th" ]

7

A4B2C

NdTb2Th4

Tb2 Nd1 Th4

3

[ 1, 1, 1 ]

3

[ [ 3.55142662, 0, -0.46862095 ], [ 0, 3.56818295, 0 ], [ 0.59704459, 0, 18.21619876 ] ]

agm005965173

[ [ 3.16286329220151, 1.784091475, 10.27818576455638 ], [ 0.98560791779849, 1.784091475, 7.469392045443622 ], [ 1.77571331, 0, -0.234310475 ], [ 3.800810309162306, 1.784091475, 15.112838092169591 ], [ 2.442805435993018, 0, 4.82124460172468 ], [ 0.34766090083769396, 1.784091475, 2.6347397178304104 ], [ 1.705665774006982, 0, 12.926333208275322 ] ]

[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}]

[ "Tb", "Tb", "Nd", "Th", "Th", "Th", "Th" ]

2023-11-16 06:57:59

[ 0.14285714285714285, 0.2857142857142857, 0.5714285714285714 ]

[ [ 0.50597507, 0, 0.00036348 ], [ 0, 0.44209513, 0 ], [ 0.00036348, 0, 0.5086826 ] ]

-43.100268

[ 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.00024949, 0, -0.00189072 ], [ 0.00024949, 0, 0.00189072 ], [ 0, 0, 0 ], [ -0.00039033, 0, -0.00295807 ], [ -0.0003173, 0, -0.00240465 ], [ 0.00039033, 0, 0.00295807 ], [ 0.0003173, 0, 0.00240465 ] ]

-0.000033

10.576007

pbe

true

633ea6ed06136b99cf5e862eff50d9fe_65_Tb2Nd1Th4

[ "Ni", "Sc", "Zn" ]

8

A2BC

Ni2ScZn

Sc2 Zn2 Ni4

3

[ 1, 1, 1 ]

3

[ [ 4.3835231, 0, 0 ], [ 0, 4.55875262, 0 ], [ 0, 0, 5.54842367 ] ]

agm005643793

[ [ 2.19176155, 3.1389493573626326, 2.774211835 ], [ 0, 1.4198032626373671, 0 ], [ 0, 1.2612378569943765, 2.774211835 ], [ 2.19176155, 3.2975147630056236, 0 ], [ 2.19176155, 0.8528597826668947, 1.4105103337090308 ], [ 2.19176155, 0.8528597826668947, 4.1379133362909695 ], [ 0, 3.7058928373331055, 4.184722168709031 ], [ 0, 3.7058928373331055, 1.3637015012909692 ] ]

[{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]

[ "Sc", "Sc", "Zn", "Zn", "Ni", "Ni", "Ni", "Ni" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ -5.0366297, 0, 0 ], [ 0, -5.699416, 0 ], [ 0, 0, -5.6468415 ] ]

-41.608136

[ 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0.00208599, 0 ], [ 0, -0.00208599, 0 ], [ 0, 0.00534305, 0 ], [ 0, -0.00534305, 0 ], [ 0, 0.00052306, 0.00255419 ], [ 0, 0.00052306, -0.00255419 ], [ 0, -0.00052306, 0.00255419 ], [ 0, -0.00052306, -0.00255419 ] ]

0

4.498269

pbe

true

2b77a5cf5ec2702e6324510eb81d7eaf_59_Sc2Zn2Ni4

[ "Be", "Er", "Ti", "Zn" ]

4

ABCD

BeErTiZn

Er1 Ti1 Be1 Zn1

4

[ 1, 1, 1 ]

3

[ [ 4.62041451, 0, 0 ], [ 2.31020725, 4.00139634, 0 ], [ 2.31020725, 1.33379878, 3.77255265 ] ]

agm001293063

[ [ 6.9306217575, 4.00139634, 2.8294144875000002 ], [ 2.3102072524999997, 1.33379878, 0.9431381625 ], [ 0, 0, 0 ], [ 4.620414504999999, 2.66759756, 1.886276325 ] ]

[{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]

[ "Be", "Zn", "Ti", "Er" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 1.3296149, 0, 0 ], [ 0, 1.3296149, 0 ], [ 0, 0, 1.3296149 ] ]

-17.462201

[ 0.011, -0.008, -0.569, -0.129 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.835808

3.795444

pbe

true

015ebd3896348ae1c66ed19a67f5189e_216_Er1Ti1Be1Zn1

[ "Cl", "Cr", "Pd", "S" ]

5

A2BCD

ClCrPdS2

Cr1 Pd1 S2 Cl1

4

[ 1, 1, 1 ]

3

[ [ 4.5369075, 0, 0 ], [ 0, 4.5369075, 0 ], [ 0, 0, 4.72894961 ] ]

agm001768264

[ [ 0, 0, 0 ], [ 0, 2.26845375, 0 ], [ 2.26845375, 0, 0 ], [ 2.26845375, 2.26845375, 2.364474805 ], [ 0, 0, 2.364474805 ] ]

[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}]

[ "Cr", "S", "S", "Pd", "Cl" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ 3.052936, 0, 0 ], [ 0, 3.052936, 0 ], [ 0, 0, 2.9763172 ] ]

-24.029293

[ 2.43, -0.245, -0.245, -0.562, -0.017 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

1.374052

4.623218

pbe

true

8591e1430c651065dca31dbc22e5f162_123_Cr1Pd1S2Cl1

[ "Cl", "P", "Rh", "Te" ]

5

A2BCD

Cl2PRhTe

Te1 P1 Rh1 Cl2

4

[ 1, 1, 1 ]

3

[ [ 5.30175345, 0, 0 ], [ 0, 5.08350829, 0 ], [ 0, 0, 5.30175345 ] ]

agm001597946

[ [ 2.650876725, 2.541754145, 2.650876725 ], [ 0, 0, 0 ], [ 0, 2.541754145, 0 ], [ 0, 0, 2.650876725 ], [ 2.650876725, 0, 0 ] ]

[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]

[ "P", "Te", "Rh", "Cl", "Cl" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.2, 0.2 ]

[ [ 0.6369673, 0, 0 ], [ 0, 1.000695, 0 ], [ 0, 0, 0.6369673 ] ]

-15.434793

[ 1.02, 0.016, -0.705, 0.039, 0.041 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

1.636778

3.676631

pbe

true

f9eeda91ee6d1c96cbd7f2c407e936b0_123_Te1P1Rh1Cl2

[ "Ag", "Cd", "Cs" ]

14

A9B3C2

Ag2Cd9Cs3

Cs3 Cd9 Ag2

3

[ 1, 1, 1 ]

3

[ [ 4.89939537, 0, 1.24199228 ], [ 2.22555541, 9.67270935, 1.50518645 ], [ 0.06242854, 0.09712226, 10.03826032 ] ]

agm005631027

[ [ 0, 0, 0 ], [ 4.123677278992308, 2.9021222270582694, 4.302032743323626 ], [ 3.063702041007691, 6.8677093829417295, 8.483406306676372 ], [ 1.143991975, 4.884915805, 5.771723385 ], [ 3.470638918586231, 0.212467660124408, 6.878119366854267 ], [ 3.7167404014137686, 9.557363949875592, 5.907319683145732 ], [ 4.7274543500272035, 5.776055162423319, 1.9202507063619951 ], [ 2.4599249699727954, 3.993776447576681, 10.865188343638005 ], [ 6.2379510421116064, 7.905311042904894, 6.246202665000001 ], [ 0.9494282778883935, 1.8645205670951062, 6.539236384999999 ], [ 5.320143644170696, 3.842421901858129, 9.866756980920583 ], [ 1.867235675829304, 5.927409708141871, 2.918682069079418 ], [ 3.066828118165093, 2.552639946297439, 8.471075870201036 ], [ 4.120551201834908, 7.217191663702561, 4.3143631797989626 ] ]

[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]

[ "Cs", "Cs", "Cs", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Ag", "Ag" ]

2023-11-16 06:57:59

[ 0.14285714285714285, 0.6428571428571429, 0.21428571428571427 ]

[ [ 3.618618, 0.01860188, -0.05017336 ], [ 0.01860188, 3.829291, -0.07338154 ], [ -0.05017336, -0.07338154, 3.8038204 ] ]

-17.012038

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ -0.00024591, 0.00091998, 0.00097004 ], [ 0.00024591, -0.00091998, -0.00097004 ], [ 0, 0, 0 ], [ -0.0001711, -0.0010235, 0.00067497 ], [ 0.0001711, 0.0010235, -0.00067497 ], [ 0.00023625, 0.00077976, -0.00093197 ], [ -0.00023625, -0.00077976, 0.00093197 ], [ 0.00075899, 0.00240329, -0.00299407 ], [ -0.00075899, -0.00240329, 0.00299407 ], [ -0.00052477, -0.00327958, 0.0020701 ], [ 0.00052477, 0.00327958, -0.0020701 ], [ -0.00017858, -0.00079054, 0.00070447 ], [ 0.00017858, 0.00079054, -0.00070447 ] ]

-0

7.464368

pbe

true

3d9b0a7516de88b0e7db0802d9da6fc4_71_Cs3Cd9Ag2

[ "Pm", "Se", "Te", "Th" ]

10

A2BCD

PmSeTe2Th

Pm2 Th2 Te4 Se2

4

[ 1, 1, 1 ]

3

[ [ 4.38448916, 0, 0 ], [ 0, 4.38448916, 0 ], [ 0, 0, 15.61812438 ] ]

agm004991045

[ [ 2.19224458, 0, 9.853741585087652 ], [ 0, 2.19224458, 5.764382794912345 ], [ 2.19224458, 0, 1.320207706722346 ], [ 0, 2.19224458, 14.297916673277653 ], [ 0, 2.19224458, 11.067729646995401 ], [ 0, 2.19224458, 1.971341368436488 ], [ 2.19224458, 0, 13.646783011563512 ], [ 2.19224458, 0, 4.550394733004598 ], [ 0, 0, 7.80906219 ], [ 2.19224458, 2.19224458, 7.80906219 ] ]

[{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]

[ "Pm", "Pm", "Th", "Th", "Te", "Te", "Te", "Te", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.4, 0.2 ]

[ [ 0.36530825, 0, 0 ], [ 0, 0.36530825, 0 ], [ 0, 0, 0.38106015 ] ]

-57.012349

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0.00420828 ], [ 0, 0, -0.00420828 ], [ 0, 0, -0.00044626 ], [ 0, 0, 0.00044626 ], [ 0, 0, 0.00535198 ], [ 0, 0, -0.00528524 ], [ 0, 0, 0.00528524 ], [ 0, 0, -0.00535198 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000041

4.755675

pbe

true

a075b6f30e08e0f65fee759bab032679_129_Pm2Th2Te4Se2

[ "Er", "Pr", "Zn" ]

4

A2BC

ErPr2Zn

Pr2 Er1 Zn1

3

[ 1, 1, 1 ]

3

[ [ 5.47056918, 0, 0 ], [ 2.73528459, 4.73765188, 0 ], [ 2.73528459, 1.57921729, 4.46670103 ] ]

agm001101499

[ [ 2.73528459, 1.5792172924999999, 1.1166752575 ], [ 8.205853770000001, 4.737651877499999, 3.3500257725000004 ], [ 5.47056918, 3.1584345849999997, 2.233350515 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]

[ "Pr", "Pr", "Zn", "Er" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 0.6974601, 0, 0 ], [ 0, 0.6974601, 0 ], [ 0, 0, 0.6974601 ] ]

-15.322963

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.00028

4.948353

pbe

true

15cfd5f8dc36f474790e13f2075b8da9_225_Pr2Er1Zn1

[ "Ga", "Mg", "Th" ]

4

A2BC

Ga2MgTh

Th1 Mg1 Ga2

3

[ 1, 1, 1 ]

3

[ [ 4.48546597, 0, 0 ], [ 2.24273299, 3.88452748, 0 ], [ 2.24273299, 1.29484249, 5.20767141 ] ]

agm001952863

[ [ 4.485465975, 2.589684985, 2.603835705 ], [ 6.728198962211275, 3.884527477788725, 3.4546787040648943 ], [ 2.2427329877887248, 1.2948424922112756, 1.7529927059351058 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]

[ "Mg", "Ga", "Ga", "Th" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 1.7376612, 0, 0 ], [ 0, 1.7376612, 0 ], [ 0, 0, 1.7321733 ] ]

-16.459689

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0.00462818 ], [ 0, 0, -0.00462818 ], [ 0, 0, 0 ] ]

-0.000003

2.010605

pbe

true

9e39189c09c88ac3ab67001ca2036b64_166_Th1Mg1Ga2

[ "As", "Ca", "La" ]

4

A2BC

As2CaLa

Ca1 La1 As2

3

[ 1, 1, 1 ]

3

[ [ 4.40845418, -0.01835267, 0.01521428 ], [ 2.21003454, 3.81451864, 0.01521428 ], [ 2.19225899, 1.25741379, 6.78568404 ] ]

agm004324292

[ [ 6.618860964062859, 3.7963794779938698, 0.0338069619579896 ], [ 4.40500161093714, 2.5265763720061307, 3.4046778980420105 ], [ 6.6080607825, 3.79018482, 5.112084449999999 ], [ 2.2026869275000003, 1.26339494, 1.7040281499999999 ] ]

[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}]

[ "As", "As", "Ca", "La" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 0.5199759, -0.06226379, -0.01731296 ], [ -0.06226379, 0.5928181, -0.00993019 ], [ -0.01731305, -0.00993024, 0.64745045 ] ]

-20.985164

[ 0, 0, 0, 0 ]

[ [ 0.00190214, 0.00109101, 0.00327957 ], [ -0.00190214, -0.00109101, -0.00327957 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000019

4.555235

pbe

true

5d35f73d47db9ef44c3d0ad914c91c45_12_Ca1La1As2

[ "Ge", "Pd", "Te" ]

4

A2BC

Ge2PdTe

Ge2 Te1 Pd1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.43798438, 3.43798438 ], [ 3.43798438, 0, 3.43798438 ], [ 3.43798438, 3.43798438, 0 ] ]

agm002678547

[ [ 1.71899219, 1.71899219, 1.71899219 ], [ 5.15697657, 5.15697657, 5.15697657 ], [ 3.43798438, 3.43798438, 3.43798438 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]

[ "Ge", "Ge", "Te", "Pd" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 7.454069, 0, 0 ], [ 0, 7.454069, 0 ], [ 0, 0, 7.454069 ] ]

-16.662064

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0

2.161605

pbe

true

04d905ed668bb48cfbd975dc7b0450d0_225_Ge2Te1Pd1

[ "Au", "C", "Pr" ]

5

A3BC

AuCPr3

Pr3 Au1 C1

3

[ 1, 1, 1 ]

3

[ [ 5.10024894, 0, 0 ], [ 0, 5.10024894, 0 ], [ 0, 0, 5.10024894 ] ]

agm001102850

[ [ 0, 2.55012447, 0 ], [ 0, 0, 2.55012447 ], [ 2.55012447, 0, 0 ], [ 0, 0, 0 ], [ 2.55012447, 2.55012447, 2.55012447 ] ]

[{"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]

[ "Pr", "Pr", "Pr", "C", "Au" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.6 ]

[ [ 0.04001822, 0, 0 ], [ 0, 0.04001822, 0 ], [ 0, 0, 0.04001822 ] ]

-27.712941

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.00002

5.695554

pbe

true

3ce97f1cfaf45326a336d8b67b633546_221_Pr3Au1C1

[ "Au", "K", "La" ]

4

A2BC

AuK2La

K2 La1 Au1

3

[ 1, 1, 1 ]

3

[ [ 6.61554551, 0, 0 ], [ 0, 4.6216146, 0 ], [ 0, 0, 4.6216146 ] ]

agm004125366

[ [ 3.307772755, 0, 2.3108073 ], [ 0, 0, 0 ], [ 0, 2.3108073, 2.3108073 ], [ 3.307772755, 2.3108073, 0 ] ]

[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]

[ "Au", "K", "K", "La" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 2.2634997, 0, 0 ], [ 0, 2.4499903, 0 ], [ 0, 0, 2.4499903 ] ]

-10.151877

[ 0, 0, 0, 0.001 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.002612

3.828412

pbe

true

e3de13ccad9d932d9dbe9cb51810d657_123_K2La1Au1

[ "Bi", "O", "Si" ]

8

A5B2C

Bi2O5Si

Si1 Bi2 O5

3

[ 1, 1, 1 ]

3

[ [ 5.44560009, -0.00010386, -0.0007808 ], [ 0.00001919, 5.44640073, -0.00060899 ], [ -2.72313776, -2.72337719, 4.21430158 ] ]

agm003468452

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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]

[ "Si", "Bi", "Bi", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.25, 0.625, 0.125 ]

[ [ 0.67827094, 0.01043431, -0.02310606 ], [ 0.01043433, 0.4560985, -0.01421964 ], [ -0.02310608, -0.01421959, 0.5953071 ] ]

-51.669402

[ 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.00014575, -0.00002611, 0.00476478 ], [ 0.00133422, 0.00086045, -0.00409632 ], [ 0.00099315, 0.00108736, -0.00223462 ], [ -0.0039344, 0.00177749, 0.00036991 ], [ 0.00335487, 0.00254437, -0.00005815 ], [ -0.0031438, -0.00226855, 0.00111771 ], [ 0.00267693, -0.00313276, 0.00015614 ], [ -0.00113521, -0.00084226, -0.00001946 ] ]

0

pbe

true

a7a119f96b7bc630b0f8ccea970d960f_107_Si1Bi2O5

[ "As", "Bi" ]

12

AB

AsBi

Bi6 As6

2

[ 1, 1, 1 ]

3

[ [ 8.18033229, 0, 0 ], [ 0, 8.18033229, 0 ], [ 0, 0, 8.18033229 ] ]

agm004468605

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[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}]

[ "Bi", "Bi", "Bi", "Bi", "Bi", "Bi", "As", "As", "As", "As", "As", "As" ]

2023-11-16 06:57:59

[ 0.5, 0.5 ]

[ [ -0.04001813, 0, 0 ], [ 0, -0.04001813, 0 ], [ 0, 0, -0.04001813 ] ]

-48.192774

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000003

2.484184

pbe

true

f1c732566448a251633ab8dcb9566cdf_223_Bi6As6

[ "La", "Pt", "Rh" ]

6

ABC

LaPtRh

La2 Pt2 Rh2

3

[ 1, 1, 1 ]

3

[ [ 5.49939186, -0.02458234, -0.07368691 ], [ -2.69364216, 4.79460186, 0.07368691 ], [ -2.73574546, -1.6010085, 4.49464275 ] ]

agm003609604

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[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]

[ "La", "La", "Pt", "Pt", "Rh", "Rh" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 6.3974786, -0.01093767, -0.13714316 ], [ -0.01093767, 6.3853173, 0.08066831 ], [ -0.13714316, 0.08066831, 6.29992 ] ]

-42.195893

[ 0, 0, 0, 0, 0, 0 ]

[ [ 0.00120363, -0.00070798, -0.00101275 ], [ -0.00120363, 0.00070798, 0.00101275 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000001

3.916897

pbe

true

a5dbda00a1d11d1787f20556edcfbb2d_74_La2Pt2Rh2

[ "Br", "Cd", "K" ]

4

A2BC

Br2CdK

K1 Cd1 Br2

3

[ 1, 1, 1 ]

3

[ [ 7.56805564, -0.00987658, -0.00611517 ], [ 6.08086377, 4.50540338, -0.00611517 ], [ 6.08086377, 2.00284617, 4.03575324 ] ]

agm004360726

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}]

[ "Br", "Br", "Cd", "K" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 1.6482358, -0.04958151, -0.03069881 ], [ -0.04958151, 1.7824402, -0.01011123 ], [ -0.03069881, -0.01011123, 1.7925103 ] ]

-9.160724

[ 0, 0, 0.001, 0 ]

[ [ 0.00310775, 0.0010236, 0.00063377 ], [ -0.00310775, -0.0010236, -0.00063377 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.002049

3.448294

pbe

true

89a90293d2fd3e88eaa019ad4861790e_166_K1Cd1Br2

[ "Mn", "Na" ]

16

AB

MnNa

Na8 Mn8

2

[ 1, 1, 1 ]

3

[ [ 11.0868, 0, 0 ], [ 0, 11.0868, 0 ], [ 0, 0, 2.77809 ] ]

agm004461754

[ [ 1.699273836, 5.5434, 1.389045 ], [ 9.387526164, 5.5434, 1.389045 ], [ 5.5434, 9.387526164, 1.389045 ], [ 5.5434, 1.699273836, 1.389045 ], [ 8.623534776, 0, 0 ], [ 2.463265224, 0, 0 ], [ 0, 2.463265224, 0 ], [ 0, 8.623534776, 0 ], [ 8.075846856, 8.075846856, 1.389045 ], [ 8.075846856, 3.010953144, 1.389045 ], [ 3.010953144, 8.075846856, 1.389045 ], [ 3.010953144, 3.010953144, 1.389045 ], [ 6.708290076, 6.708290076, 0 ], [ 6.708290076, 4.378509924, 0 ], [ 4.378509924, 6.708290076, 0 ], [ 4.378509924, 4.378509924, 0 ] ]

[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}]

[ "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Mn", "Mn", "Mn", "Mn", "Mn", "Mn", "Mn", "Mn" ]

2023-11-16 06:57:59

[ 0.5, 0.5 ]

[ [ 1.8682578, 0, 0 ], [ 0, 1.8682578, 0 ], [ 0, 0, 0.89491063 ] ]

-73.730023

[ -0.005, -0.005, -0.005, -0.005, -0.015, -0.015, -0.015, -0.015, 3.399, 3.399, 3.399, 3.399, -1.791, -1.791, -1.791, -1.791 ]

[ [ 0.00110594, 0, 0 ], [ -0.00110594, 0, 0 ], [ 0, -0.00110594, 0 ], [ 0, 0.00110594, 0 ], [ 0.00064341, 0, 0 ], [ -0.00064341, 0, 0 ], [ 0, -0.00064341, 0 ], [ 0, 0.00064341, 0 ], [ 0.00704726, 0.00704726, 0 ], [ 0.00704726, -0.00704726, 0 ], [ -0.00704726, 0.00704726, 0 ], [ -0.00704726, -0.00704726, 0 ], [ -0.00770172, -0.00770172, 0 ], [ -0.00770172, 0.00770172, 0 ], [ 0.00770172, -0.00770172, 0 ], [ 0.00770172, 0.00770172, 0 ] ]

6.564955

11.914804

pbe

true

210b1314988ef98518cd51b630d367ce_123_Na8Mn8

[ "Ag", "Au", "Cd" ]

9

A6B2C

Ag6AuCd2

Cd2 Ag6 Au1

3

[ 1, 1, 1 ]

3

[ [ 2.8683298, 0, 0.04401503 ], [ 0, 8.1485634, 0 ], [ -0.7053531, -4.07428171, 7.32163373 ] ]

agm003481460

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]

[ "Cd", "Cd", "Ag", "Ag", "Ag", "Ag", "Ag", "Ag", "Au" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.1111111111111111, 0.2222222222222222 ]

[ [ 8.419589, 0, -0.02714689 ], [ 0, 8.307982, -1e-8 ], [ -0.02714675, -1e-8, 8.433201 ] ]

-22.03317

[ 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.00130534, 0, 0.00034142 ], [ 0.00130534, 0, -0.00034142 ], [ 0.00210198, -0.00084152, -0.0002326 ], [ -0.00210198, -0.00084152, 0.0002326 ], [ -0.00210198, 0.00084152, 0.0002326 ], [ 0, -0.00224049, 0 ], [ 0.00210198, 0.00084152, -0.0002326 ], [ 0, 0.00224049, 0 ], [ 0, 0, 0 ] ]

-0.000001

1.74735

pbe

true

00b9cf60a69963ed12ef7a037186352a_12_Cd2Ag6Au1

[ "Pd", "Ru", "Sm" ]

12

A3B2C

Pd2RuSm3

Sm6 Pd4 Ru2

3

[ 1, 1, 1 ]

3

[ [ 4.99239771, 0.00890676, 0.01979879 ], [ 2.50955537, 7.45835433, 0.00995167 ], [ -0.02850779, -1.7e-7, 7.17609409 ] ]

agm005708544

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[{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]

[ "Sm", "Sm", "Sm", "Sm", "Sm", "Sm", "Pd", "Pd", "Pd", "Pd", "Ru", "Ru" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.16666666666666666, 0.5 ]

[ [ 2.8291368, 0.0337425, 0.00077459 ], [ 0.03374252, 2.8404348, 0.0000469 ], [ 0.00077496, 0.00004743, 2.6918573 ] ]

-75.066772

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.00057659, -0.00138471, -0.00170688 ], [ 0.00067067, -0.00001218, -0.00259303 ], [ 0.00057659, 0.00138471, 0.00170688 ], [ 0.00042867, -0.00138538, 0.00169469 ], [ -0.00042867, 0.00138538, -0.00169469 ], [ -0.00067067, 0.00001218, 0.00259303 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00023127, -0.00435212, 0.00000544 ], [ -0.00023127, 0.00435212, -0.00000544 ], [ -0.0005481, -0.00025745, -0.00000915 ], [ 0.0005481, 0.00025745, 0.00000915 ] ]

-0.000001

5.999414

pbe

true

ad95bbcc9430b26c05500613555886f9_10_Sm6Pd4Ru2

[ "Pm", "Pr", "Tb" ]

13

A6B6C

Pm6Pr6Tb

Tb1 Pm6 Pr6

3

[ 1, 1, 1 ]

3

[ [ 6.81701372, -0.00037195, 0 ], [ -3.40799658, 5.90399872, 0 ], [ 0, 0, 11.61227989 ] ]

agm003695462

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[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]

[ "Tb", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr" ]

2023-11-16 06:57:59

[ 0.46153846153846156, 0.46153846153846156, 0.07692307692307693 ]

[ [ 1.3389876, 0.00004268, 0 ], [ 0.00004268, 1.3390355, 0 ], [ 0, 0, 1.2964865 ] ]

-58.199235

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, -0.0022406 ], [ 0, 0, 0.0022406 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00658448 ], [ 0, 0, 0.00658448 ], [ 0, 0, 0.00658448 ], [ 0, 0, -0.00658448 ], [ 0, 0, -0.00658448 ], [ 0, 0, -0.00658448 ] ]

0.001224

25.0828

pbe

true

69c51f5443cc0fa2c35c7871fc84a92a_191_Tb1Pm6Pr6

[ "Ag", "P", "Th" ]

4

A2BC

AgPTh2

Th2 Ag1 P1

3

[ 1, 1, 1 ]

3

[ [ 4.01895994, 0, 0 ], [ 2.00947997, 3.48052141, 0 ], [ 2.00947997, 1.1601738, 7.73750667 ] ]

agm005116293

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[{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]

[ "Th", "Th", "Ag", "P" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 1.6834624, 0, 0 ], [ 0, 1.6834624, 0 ], [ 0, 0, 1.8899683 ] ]

-25.756397

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0.00386748 ], [ 0, 0, -0.00553103 ], [ 0, 0, 0.00122902 ], [ 0, 0, 0.00043453 ] ]

0.000076

3.133221

pbe

true

47af381fd6451d6e4b473c242a832c7f_160_Th2Ag1P1

[ "Al", "Au", "Fe" ]

4

A2BC

Al2AuFe

Al2 Fe1 Au1

3

[ 1, 1, 1 ]

3

[ [ 4.68399821, 0.01888569, -0.01404711 ], [ 1.44093778, 4.45689289, 0.01404711 ], [ -3.05506816, -2.24801473, 2.74834159 ] ]

agm004117325

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[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]

[ "Au", "Fe", "Al", "Al" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 3.1376934, -0.23212671, 0.07973504 ], [ -0.23212671, 3.2857244, -0.10911322 ], [ 0.07973504, -0.10911322, 3.4527373 ] ]

-19.978015

[ -0.069, 1.164, -0.029, -0.029 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00009065, -0.00006624, 0 ], [ 0.00009065, 0.00006624, 0 ] ]

0.907107

2.442659

pbe

true

d83e0c6e6c7b331671f9d51dbb2a8151_139_Al2Fe1Au1

[ "Au", "Ba", "Te" ]

18

ABC

AuBaTe

Ba6 Te6 Au6

3

[ 1, 1, 1 ]

3

[ [ 8.61778813, 0, 0 ], [ -4.30889406, 7.46322344, 0 ], [ 0, 0, 9.1175157 ] ]

agm001036855

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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]

[ "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Te", "Te", "Te", "Te", "Te", "Te", "Au", "Au", "Au", "Au", "Au", "Au" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 1.123879, 0, 0 ], [ 0, 1.123879, 0 ], [ 0, 0, 1.2150855 ] ]

-65.389728

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0.00248193, -0.00429884, 0 ], [ -0.00496387, 0, 0 ], [ 0.00248193, 0.00429884, 0 ], [ -0.00496387, 0, 0 ], [ 0.00248193, -0.00429884, 0 ], [ 0.00248193, 0.00429884, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00175047, -0.0030319, 0 ], [ -0.00350094, 0, 0 ], [ 0.00175047, 0.0030319, 0 ], [ 0.00175047, -0.0030319, 0 ], [ -0.00350094, 0, 0 ], [ 0.00175047, 0.0030319, 0 ] ]

-0.000017

9.545304

pbe

true

ee0003a454302fdc2d8ab0aff116eafc_189_Ba6Te6Au6

[ "Au", "Cd", "Hg" ]

18

A5B3C

Au3Cd5Hg

Cd10 Hg2 Au6

3

[ 1, 1, 1 ]

3

[ [ 5.82798353, 0, 0 ], [ 0, 9.74985667, 0 ], [ 0, -4.87492834, 6.72554059 ] ]

agm003563520

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]

[ "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Hg", "Hg", "Au", "Au", "Au", "Au", "Au", "Au" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.5555555555555556, 0.1111111111111111 ]

[ [ 9.349589, 0, 0 ], [ 0, 6.0610294, 0 ], [ 0, 0, 9.176061 ] ]

-31.134471

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, -0.01040209 ], [ 0, 0, 0.01040209 ], [ 0, 0, 0.01040209 ], [ 0, 0, -0.01040209 ], [ 0, -0.00625891, -0.00450118 ], [ 0, -0.00625891, 0.00450118 ], [ 0, 0.00876171, 0 ], [ 0, 0.00625891, 0.00450118 ], [ 0, 0.00625891, -0.00450118 ], [ 0, -0.00876171, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.0011722, -0.00296389 ], [ 0, -0.0011722, 0.00296389 ], [ 0, -0.01933729, 0 ], [ 0, 0.0011722, 0.00296389 ], [ 0, 0.0011722, -0.00296389 ], [ 0, 0.01933729, 0 ] ]

0

4.93518

pbe

true

cdf912e077bac400695d9e342fa0392d_63_Cd10Hg2Au6

[ "Bi", "Cs", "Na" ]

5

A2B2C

Bi2Cs2Na

Cs2 Na1 Bi2

3

[ 1, 1, 1 ]

3

[ [ 5.5215343, 0, 0 ], [ 0, 5.22754513, -1.69645648 ], [ 0, -0.16039809, 8.40817393 ] ]

agm005842006

[ [ 0, 3.542871906523625, 2.0147429998607076 ], [ 0, 4.693952963085166, 5.561739335343926 ], [ 2.76076715, 0.5325827017696074, 1.641125862292873 ], [ 2.76076715, 1.553037403140885, 4.78561278880342 ], [ 2.76076715, 2.6321415062410884, -0.7916164016602468 ] ]

[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]

[ "Cs", "Cs", "Na", "Bi", "Bi" ]

2023-11-16 06:57:59

[ 0.4, 0.4, 0.2 ]

[ [ 0.07292491, 0, 0 ], [ 0, 0.08590968, 0.0200262 ], [ 0, 0.0200262, 0.14112037 ] ]

-11.952047

[ 0, 0, 0, 0, 0 ]

[ [ 0, -0.00056974, -0.00175562 ], [ 0, -0.00043957, -0.00135452 ], [ 0, 0.00087752, 0.00270402 ], [ 0, 0.00098113, 0.0030233 ], [ 0, -0.00084933, -0.00261718 ] ]

0

3.727601

pbe

true

e9c66bcf9d56c8ac6e3be4286b747246_38_Cs2Na1Bi2

[ "Au", "In", "Zn" ]

4

A2BC

AuIn2Zn

Zn1 In2 Au1

3

[ 1, 1, 1 ]

3

[ [ 8.8661999, 0.01398769, 0.00829075 ], [ 8.19090465, 3.39393244, 0.00829075 ], [ 8.19090465, 1.63649984, 2.97333389 ] ]

agm004056662

[ [ 19.121151561383968, 3.820305910916809, 2.264361711651486 ], [ 0.24409573310486402, 0.048769048716362395, 0.028906262797288803 ], [ 6.090494445845825, 1.2168488836655984, 0.7212474826072208 ], [ 12.416272312145436, 2.48070616214543, 1.4703576578431587 ] ]

[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]

[ "Au", "In", "In", "Zn" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 5.068887, 0.0105481, 0.00625204 ], [ 0.0105481, 5.0182, 0.00124912 ], [ 0.00625204, 0.00124912, 5.016833 ] ]

-10.188795

[ 0, 0, 0, 0 ]

[ [ -0.00424727, -0.00084858, -0.00050297 ], [ 0.00243406, 0.00048631, 0.00028825 ], [ -0.00138245, -0.00027621, -0.00016371 ], [ 0.00319567, 0.00063848, 0.00037844 ] ]

0

0.867075

pbe

true

736ee8b11b540a2ec86b3399a23d595a_160_Zn1In2Au1

[ "Au", "N", "Rb" ]

7

A3B2C2

Au2N2Rb3

Rb3 Au2 N2

3

[ 1, 1, 1 ]

3

[ [ 5.67969283, -0.00039494, -1.09102698 ], [ -0.18243219, 4.47136513, -0.94756473 ], [ -0.89009114, -0.07619107, 10.69615216 ] ]

agm005552008

[ [ 0, 0, 0 ], [ 1.259795986700461, 1.4667985260869982, 6.559602917067762 ], [ 3.347373513299539, 2.9279805939130017, 2.0979575329322375 ], [ 0.6175754487969611, 0.713465717797843, 3.2162281887139472 ], [ 3.989594051203038, 3.6813134022021567, 5.441332261286052 ], [ 1.9263421094661672, 0.49373784346380356, 10.0285968538276 ], [ 2.6808273905338322, 3.901041276536196, -1.371036403827599 ] ]

[{"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]

[ "Rb", "Rb", "Rb", "Au", "Au", "N", "N" ]

2023-11-16 06:57:59

[ 0.2857142857142857, 0.2857142857142857, 0.42857142857142855 ]

[ [ 0.12926118, 0.01058895, -0.01511924 ], [ 0.01058897, -0.06125661, 0.04540387 ], [ -0.01511927, 0.0454039, 0.04844771 ] ]

-27.027961

[ 0.017, 0.002, 0.002, 0.002, 0.002, 0.178, 0.178 ]

[ [ 0, 0, 0 ], [ 0.00114917, 0.00194396, 0.00549074 ], [ -0.00114917, -0.00194396, -0.00549074 ], [ -0.00011081, -0.00086518, 0.00075139 ], [ 0.00011081, 0.00086518, -0.00075139 ], [ 0.00043009, -0.0173702, 0.00289256 ], [ -0.00043009, 0.0173702, -0.00289256 ] ]

0.755423

3.347912

pbe

true

41783810b9b260003b7a6615e3b5c9dc_12_Rb3Au2N2

[ "Be", "Cl", "Co" ]

4

A2BC

BeCl2Co

Be1 Co1 Cl2

3

[ 1, 1, 1 ]

3

[ [ 3.04268798, 0, 0 ], [ 0, 3.04268798, 0 ], [ 0, 0, 6.1132018 ] ]

agm004093614

[ [ 1.52134399, 1.52134399, 4.58490135 ], [ 1.52134399, 1.52134399, 1.52830045 ], [ 0, 0, 6.084653575518125 ], [ 0, 0, 3.085149124481874 ] ]

[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}]

[ "Be", "Co", "Cl", "Cl" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 1.199452, 0, 0 ], [ 0, 1.199452, 0 ], [ 0, 0, 2.434238 ] ]

-12.215792

[ -0.123, 1.599, 0.046, 0.046 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00241139 ], [ 0, 0, 0.00241139 ] ]

1.318236

4.893842

pbe

true

75f84fc43058e7552f82acd42ff17e62_123_Be1Co1Cl2

[ "Ca", "N", "Sr", "W" ]

16

A4B2CD

Ca2N4SrW

Sr2 Ca4 W2 N8

4

[ 1, 1, 1 ]

3

[ [ 5.6477107, 0, 0 ], [ 0, 6.52632102, 0 ], [ 0, 0, 7.77710858 ] ]

agm004782173

[ [ 5.483889984240702, 0.9842041908966672, 3.88855429 ], [ 2.660034634240701, 5.542116829103333, 0 ], [ 2.708710501973684, 2.140993873796355, 1.982604291503956 ], [ 2.708710501973684, 2.140993873796355, 5.794504288496044 ], [ 5.5325658519736844, 4.385327146203645, 5.871158581503956 ], [ 5.5325658519736844, 4.385327146203645, 1.9059499984960442 ], [ 2.8363107547006727, 5.3196159455166265, 3.88855429 ], [ 0.012455404700673002, 1.2067050744833743, 0 ], [ 1.8779604965571841, 1.3325028489883333, 0 ], [ 4.701815846557184, 5.193818171011666, 3.88855429 ], [ 2.470927818704041, 0.6706919333161746, 3.88855429 ], [ 5.294783168704041, 5.855629086683826, 0 ], [ 2.252008206786863, 4.454019677046814, 5.479359128050997 ], [ 5.075863556786863, 2.072301342953186, 1.590804838050997 ], [ 5.075863556786863, 2.072301342953186, 6.186303741949003 ], [ 2.252008206786863, 4.454019677046814, 2.2977494519490027 ] ]

[{"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]

[ "Sr", "Sr", "Ca", "Ca", "Ca", "Ca", "W", "W", "N", "N", "N", "N", "N", "N", "N", "N" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.125, 0.125 ]

[ [ 0.42286187, 0, 0 ], [ 0, 0.2597704, 0 ], [ 0, 0, 0.35402185 ] ]

-120.76993

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.00065579, 0.0032741, 0 ], [ -0.00065579, -0.0032741, 0 ], [ -0.00048885, -0.00132051, 0.000426 ], [ -0.00048885, -0.00132051, -0.000426 ], [ -0.00048885, 0.00132051, 0.000426 ], [ -0.00048885, 0.00132051, -0.000426 ], [ -0.00401613, -0.00018794, 0 ], [ -0.00401613, 0.00018794, 0 ], [ 0.0012138, 0.00000457, 0 ], [ 0.0012138, -0.00000457, 0 ], [ 0.00205989, -0.00182602, 0 ], [ 0.00205989, 0.00182602, 0 ], [ 0.00118797, 0.00187188, -0.00424143 ], [ 0.00118797, -0.00187188, -0.00424143 ], [ 0.00118797, -0.00187188, 0.00424143 ], [ 0.00118797, 0.00187188, 0.00424143 ] ]

0

pbe

true

04caf9bef442aca6f42cc3100b36ea54_31_Sr2Ca4W2N8

[ "Cl", "Fe", "Hg", "Re" ]

5

A2BCD

ClFeHg2Re

Fe1 Re1 Hg2 Cl1

4

[ 1, 1, 1 ]

3

[ [ 5.13799646, 0, 0 ], [ 0, 4.43416259, 0 ], [ 0, 0, 5.13799646 ] ]

agm001487219

[ [ 0, 2.217081295, 0 ], [ 2.56899823, 2.217081295, 2.56899823 ], [ 0, 0, 2.56899823 ], [ 2.56899823, 0, 0 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}]

[ "Re", "Cl", "Hg", "Hg", "Fe" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.4, 0.2 ]

[ [ 4.8823714, 0, 0 ], [ 0, 5.7743187, 0 ], [ 0, 0, 4.8823714 ] ]

-18.534973

[ 2.21, 0.108, 0.004, 0.005, -0.942 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

1.851245

3.581094

pbe

true

32a866fcb6f78f07fac3b1a06bec2079_123_Fe1Re1Hg2Cl1

[ "Cl", "Ga", "Na", "P" ]

5

A2BCD

ClGaNaP2

Na1 Ga1 P2 Cl1

4

[ 1, 1, 1 ]

3

[ [ 5.12551652, 0, 0 ], [ 0, 5.12551652, 0 ], [ 0, 0, 5.24575586 ] ]

agm001758063

[ [ 0, 2.56275826, 0 ], [ 2.56275826, 0, 0 ], [ 0, 0, 0 ], [ 2.56275826, 2.56275826, 2.62287793 ], [ 0, 0, 2.62287793 ] ]

[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]

[ "P", "P", "Na", "Ga", "Cl" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ 0.8631168, 0, 0 ], [ 0, 0.8631168, 0 ], [ 0, 0, 0.9080229 ] ]

-13.109196

[ 0.492, 0.492, 0.009, 0.046, 0.186 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

2.580832

2.411856

pbe

true

7cd5204282141b339135f806e0940f68_123_Na1Ga1P2Cl1

[ "Cs", "F", "In", "Pd" ]

18

A12B3C2D

Cs2F12In3Pd

Cs2 In3 Pd1 F12

4

[ 1, 1, 1 ]

3

[ [ 7.79278821, -0.14900365, -0.10568685 ], [ 3.71892156, 6.84977172, -0.10568685 ], [ 3.71892156, 2.16472021, 6.49957912 ] ]

agm004498103

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[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]

[ "Cs", "Cs", "In", "In", "In", "Pd", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F" ]

2023-11-16 06:57:59

[ 0.1111111111111111, 0.6666666666666666, 0.16666666666666666, 0.05555555555555555 ]

[ [ 2.5288672, 0.2939385, 0.20848773 ], [ 0.2939385, 2.1949866, 0.12135713 ], [ 0.20848773, 0.12135713, 2.1099675 ] ]

-80.120718

[ 0, 0, 0, 0, 0, 0.874, 0, 0.015, 0.015, 0, 0.015, 0, 0, 0.015, 0.015, 0, 0.015, 0 ]

[ [ -0.00462063, -0.00268959, -0.0019077 ], [ 0.00462063, 0.00268959, 0.0019077 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00370796, 0.00215834, -0.00381864 ], [ -0.00389898, -0.00226953, -0.00470957 ], [ -0.00644286, -0.00082475, -0.00058499 ], [ -0.00068215, 0.00465168, 0.00329939 ], [ -0.00389898, -0.00519506, -0.00058499 ], [ 0.00370796, -0.00289041, 0.00329939 ], [ -0.00370796, -0.00215834, 0.00381864 ], [ 0.00389898, 0.00226953, 0.00470957 ], [ 0.00644286, 0.00082475, 0.00058499 ], [ 0.00068215, -0.00465168, -0.00329939 ], [ 0.00389898, 0.00519506, 0.00058499 ], [ -0.00370796, 0.00289041, -0.00329939 ] ]

1.000866

6.807189

pbe

true

1d00822bcacb0b2efa2a3ca905a7aa5e_166_Cs2In3Pd1F12

[ "Ga", "Mg", "Pt", "Rb" ]

5

A2BCD

GaMg2PtRb

Rb1 Mg2 Ga1 Pt1

4

[ 1, 1, 1 ]

3

[ [ 5.21884475, 0, 0 ], [ 0, 5.21884475, 0 ], [ 0, 0, 4.90890239 ] ]

agm001618109

[ [ 0, 2.609422375, 0 ], [ 2.609422375, 0, 0 ], [ 0, 0, 2.454451195 ], [ 2.609422375, 2.609422375, 2.454451195 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]

[ "Mg", "Mg", "Ga", "Rb", "Pt" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ 2.230921, 0, 0 ], [ 0, 2.230921, 0 ], [ 0, 0, 1.9711323 ] ]

-14.985615

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0

1.330646

pbe

true

b1ff8105d15dd7467c41a6a29ed2c436_123_Rb1Mg2Ga1Pt1

[ "Br", "H", "Os" ]

5

A3BC

BrHOs3

H1 Os3 Br1

3

[ 1, 1, 1 ]

3

[ [ 4.01142679, 0, 0 ], [ 0, 4.01142679, 0 ], [ 0, 0, 4.01142679 ] ]

agm002489581

[ [ 0, 0, 0 ], [ 0, 2.005713395, 0 ], [ 0, 0, 2.005713395 ], [ 2.005713395, 0, 0 ], [ 2.005713395, 2.005713395, 2.005713395 ] ]

[{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}]

[ "H", "Os", "Os", "Os", "Br" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.6 ]

[ [ 13.013557, 0, 0 ], [ 0, 13.013557, 0 ], [ 0, 0, 13.013557 ] ]

-31.448503

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0

2.349271

pbe

true

5b88316f038c7887652da71eadcd34a1_221_H1Os3Br1

[ "Ce", "Sc", "Th" ]

8

A6BC

CeSc6Th

Ce1 Th1 Sc6

3

[ 1, 1, 1 ]

3

[ [ 4.72952628, 0, 0 ], [ 0, 6.59121969, -0.76315002 ], [ 0, 0.7217368, 6.59588294 ] ]

agm005750860

[ [ 2.36476314, 3.6564782449999997, 2.91636646 ], [ 2.36476314, 0, 0 ], [ 2.36476314, 0.3608684, 3.29794147 ], [ 2.36476314, 3.295609845, -0.38157501 ], [ 0, 1.8330714510190274, 1.462037441586207 ], [ 0, 5.479885038980973, 4.3706954784137935 ], [ 0, 5.120736556807919, 1.0805104944076993 ], [ 0, 2.19221993319208, 4.752222425592301 ] ]

[{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}]

[ "Ce", "Th", "Sc", "Sc", "Sc", "Sc", "Sc", "Sc" ]

2023-11-16 06:57:59

[ 0.125, 0.75, 0.125 ]

[ [ 1.6128203, 0, 0 ], [ 0, 1.9251533, 0.22491293 ], [ 0, 0.22491293, 1.8225503 ] ]

-50.920701

[ 0.363, -0.021, 0.007, 0.007, 0.008, 0.008, 0.006, 0.006 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00150602, 0.00120118 ], [ 0, -0.00150602, -0.00120118 ], [ 0, 0.00182257, -0.0022851 ], [ 0, -0.00182257, 0.0022851 ] ]

0.46103

16.603508

pbe

true

886be6be30ddf092c6c1dfcdd5b85b32_123_Ce1Th1Sc6

[ "I", "Sb", "Sr", "Zr" ]

5

A2BCD

I2SbSrZr

Sr1 Zr1 Sb1 I2

4

[ 1, 1, 1 ]

3

[ [ 6.0137234, 0, 0 ], [ 0, 6.0137234, 0 ], [ 0, 0, 6.50107635 ] ]

agm001713031

[ [ 0, 3.0068617, 0 ], [ 3.0068617, 0, 0 ], [ 0, 0, 3.250538175 ], [ 3.0068617, 3.0068617, 3.250538175 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]

[ "I", "I", "Sb", "Zr", "Sr" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.2, 0.2 ]

[ [ 0.7381183, 0, 0 ], [ 0, 0.7381183, 0 ], [ 0, 0, 0.8599422 ] ]

-15.696972

[ -0.039, -0.039, -0.428, 1.495, -0.021 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

1.013217

4.69238

pbe

true

e1735a2e96d5cea68ca4f54f984593a7_123_Sr1Zr1Sb1I2

[ "Cd", "Nd", "Sn" ]

12

ABC

CdNdSn

Nd4 Cd4 Sn4

3

[ 1, 1, 1 ]

3

[ [ 4.17993695, 0, 0 ], [ 0, 7.53739624, 0 ], [ 0, 0, 11.35194452 ] ]

agm001020222

[ [ 3.1349527125, 4.796594176080159, 0.4260755986941804 ], [ 3.1349527125, 6.50950018391984, 6.1020478586941795 ], [ 1.0449842375, 1.027896056080159, 5.24989666130582 ], [ 1.0449842375, 2.7408020639198405, 10.92586892130582 ], [ 3.1349527125, 3.0757946300281374, 6.437540275532685 ], [ 3.1349527125, 0.6929034899718624, 0.7615680155326853 ], [ 1.0449842375, 6.844492750028137, 10.590376504467315 ], [ 1.0449842375, 4.461601609971862, 4.914404244467315 ], [ 3.1349527125, 2.735325316437894, 3.1097202369224792 ], [ 3.1349527125, 1.0333728035621055, 8.78569249692248 ], [ 1.0449842375, 6.504023436437894, 2.5662520230775203 ], [ 1.0449842375, 4.8020709235621055, 8.24222428307752 ] ]

[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}]

[ "Cd", "Cd", "Cd", "Cd", "Sn", "Sn", "Sn", "Sn", "Nd", "Nd", "Nd", "Nd" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 3.4084988, 0, 0 ], [ 0, 3.143086, 0 ], [ 0, 0, 3.3268628 ] ]

-42.528788

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0.00025271, -0.00360136 ], [ 0, -0.00025271, -0.00360136 ], [ 0, 0.00025271, 0.00360136 ], [ 0, -0.00025271, 0.00360136 ], [ 0, -0.00589791, 0.00387878 ], [ 0, 0.00589791, 0.00387878 ], [ 0, -0.00589791, -0.00387878 ], [ 0, 0.00589791, -0.00387878 ], [ 0, 0.00086321, -0.00212729 ], [ 0, -0.00086321, -0.00212729 ], [ 0, 0.00086321, 0.00212729 ], [ 0, -0.00086321, 0.00212729 ] ]

-0.000014

7.167139

pbe

true

36f87d884a384b9896a8679e16ccb140_62_Nd4Cd4Sn4

[ "Cr", "Rb", "Se" ]

20

A6B3C

Cr3RbSe6

Rb2 Cr6 Se12

3

[ 1, 1, 1 ]

3

[ [ 3.63265082, 3e-8, -2e-8 ], [ 0.00000106, 11.64410142, -4.15706504 ], [ -6e-8, -0.27063586, 11.56867939 ] ]

agm006048429

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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]

[ "Rb", "Rb", "Cr", "Cr", "Cr", "Cr", "Cr", "Cr", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.3, 0.1, 0.6 ]

[ [ 0.67722535, 6e-8, 0 ], [ 6e-8, 0.58573794, 0.03414591 ], [ 0, 0.03414616, 0.59346354 ] ]

-112.90545

[ -0.002, -0.002, 2.656, 2.656, 2.692, 2.692, 2.692, 2.692, -0.22, -0.22, -0.195, -0.195, -0.168, -0.168, -0.167, -0.167, -0.186, -0.186, -0.282, -0.282 ]

[ [ 0, 0.00090244, 0.00039672 ], [ 0, -0.00090244, -0.00039672 ], [ 0, 0.0004136, 0.00038873 ], [ 0, -0.0004136, -0.00038873 ], [ 0, 0.00288542, 0.00535421 ], [ 0, -0.00288542, -0.00535421 ], [ 0, -0.00261527, 0.00373498 ], [ 0, 0.00261527, -0.00373498 ], [ 0, 0.00021457, 0.00493477 ], [ 0, -0.00021457, -0.00493477 ], [ 0, -0.00131258, -0.00104673 ], [ 0, 0.00131258, 0.00104673 ], [ 0, 0.00280588, 0.000734 ], [ 0, -0.00280588, -0.000734 ], [ 0, 0.00196967, -0.00401563 ], [ 0, -0.00196967, 0.00401563 ], [ 0, -0.00022965, -0.00305527 ], [ 0, 0.00022965, 0.00305527 ], [ 0, -0.00526654, 0.00298098 ], [ 0, 0.00526654, -0.00298098 ] ]

13.983169

9.365354

pbe

true

df706eb0bb127d0d4a3f2c8341a8faf9_11_Rb2Cr6Se12

[ "Cs", "P", "Zn" ]

12

A3B2C

Cs3P2Zn

Cs6 Zn2 P4

3

[ 1, 1, 1 ]

3

[ [ 7.69832335, 3e-8, -3.19605739 ], [ -1.19567366, 6.73715674, -2.88001397 ], [ -0.68984632, -0.27649555, 9.20785226 ] ]

agm005858062

[ [ 1.8601872878330847, 4.469227488662623, 0.11422971362480865 ], [ 3.952616082166916, 1.9914337313373758, 3.0175511863751905 ], [ -1.2510425416650672, 5.360012083388707, 3.489710021378031 ], [ 7.063853609988417, 1.1006491366113225, -0.35793231743542214 ], [ 2.95240643, 5.05286757, -3.7580391724999997 ], [ 3.55024326, 1.6842891999999998, -2.3180321875 ], [ -0.298918415, 1.684289185, -0.7200034925 ], [ -0.896755245, 5.052867555, -2.1600104774999997 ], [ 1.548192928407161, 0.42740377293791776, 0.3570649400746105 ], [ 4.264610441592839, 6.033257447062082, 2.774715959925388 ], [ -0.447611984420499, 2.6646790563690335, 6.419261953606978 ], [ 6.260415354420499, 3.795982163630966, -3.287481053606979 ] ]

[{"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]

[ "Cs", "Cs", "Cs", "Cs", "Cs", "Cs", "Zn", "Zn", "P", "P", "P", "P" ]

2023-11-16 06:57:59

[ 0.5, 0.3333333333333333, 0.16666666666666666 ]

[ [ 0.30848476, -0.00335131, -0.03151054 ], [ -0.00335131, 0.24742338, -0.00807235 ], [ -0.03151054, -0.00807235, 0.24566752 ] ]

-31.640004

[ 0.005, 0.005, 0.005, 0.005, 0.008, 0.008, 0.012, 0.012, 0.069, 0.069, 0.069, 0.069 ]

[ [ 0.00228057, 0.00112906, 0.00169439 ], [ -0.00228057, -0.00112906, -0.00169439 ], [ 0.00040994, -0.00112906, -0.00281139 ], [ -0.00040994, 0.00112906, 0.00281139 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00208741, 0.0000545, -0.00073913 ], [ -0.00208741, -0.0000545, 0.00073913 ], [ 0.00199712, -0.0000545, -0.00095662 ], [ -0.00199712, 0.0000545, 0.00095662 ] ]

0.871854

6.821625

pbe

true

4b2456013c714a4f701eb2eb0c015af7_72_Cs6Zn2P4

[ "Cu", "Fe", "Re" ]

4

A2BC

CuFe2Re

Fe2 Cu1 Re1

3

[ 1, 1, 1 ]

3

[ [ 8.5522211, 0.00616066, 0.00361536 ], [ 8.14235872, 2.61582075, 0.00361536 ], [ 8.14235872, 1.27880507, 2.28192657 ] ]

agm003844768

[ [ 6.286167797235806, 0.9872794231453945, 0.5793800558804937 ], [ 0.055128317152769404, 0.0086582246788728, 0.0050810364124569 ], [ 18.59644115372093, 2.920679862041894, 1.7139865594359311 ], [ 12.317670541890493, 1.9345622101338384, 1.1352882832711182 ] ]

[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]

[ "Cu", "Fe", "Fe", "Re" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 1.468177, 0.07363117, 0.04321009 ], [ 0.07363117, 1.0109196, 0.0067864 ], [ 0.04321009, 0.0067864, 1.003338 ] ]

-32.600708

[ 0.017, 2.385, 1.354, -0.304 ]

[ [ 0.00180759, 0.00028389, 0.0001666 ], [ -0.00214198, -0.00033641, -0.00019742 ], [ -0.0061367, -0.0009638, -0.0005656 ], [ 0.00647109, 0.00101632, 0.00059642 ] ]

3.377525

3.130605

pbe

true

b0f1b2e4708acd09cfb75fc5f11e0bf6_160_Fe2Cu1Re1

[ "Dy", "Er", "Pt" ]

11

A4B4C3

Dy4Er3Pt4

Dy4 Er3 Pt4

3

[ 1, 1, 1 ]

3

[ [ 3.78452798, 0, 0 ], [ 0, 8.74144807, 0 ], [ -1.89226399, -4.37072403, 8.15224729 ] ]

agm003377438

[ [ -0.000001873341350091836, -1.6359303152050328, 5.455831253725027 ], [ 1.89226586334135, 2.734784976654472, 2.696416036274973 ], [ 1.89226586334135, 6.0066543552050335, 2.696416036274973 ], [ -0.000001873341350091836, 1.6359390633455293, 5.455831253725027 ], [ -2.7641740163964812e-17, 9.811371252629108e-10, 1.599694289873746 ], [ 1.8922639900000002, 4.370724039018864, 6.552553000126253 ], [ 0, 4.370724035, 0 ], [ 4.3405597232239756e-17, 4.370724037573604, 4.196130594726849 ], [ 1.8922639900000002, 2.426396749415255e-9, 3.9561166952731512 ], [ 0, 2.569323660303179, 8.15224729 ], [ 1.89226399, 1.8014003796968219, 0 ] ]

[{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]

[ "Dy", "Dy", "Dy", "Dy", "Er", "Er", "Er", "Pt", "Pt", "Pt", "Pt" ]

2023-11-16 06:57:59

[ 0.36363636363636365, 0.2727272727272727, 0.36363636363636365 ]

[ [ 0.37101042, 0, 0 ], [ 0, 2.2452724, 0 ], [ 0, 0, 2.6209962 ] ]

-66.386356

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, -0.01428783, -0.01686096 ], [ 0, -0.01428783, 0.01686096 ], [ 0, 0.01428783, 0.01686096 ], [ 0, 0.01428783, -0.01686096 ], [ 0, 0, 0.04433375 ], [ 0, 0, -0.04433375 ], [ 0, 0, 0 ], [ 0, 0, 0.00792751 ], [ 0, 0, -0.00792751 ], [ 0, 0.00594491, 0 ], [ 0, -0.00594491, 0 ] ]

0.000013

8.117618

pbe

true

63cef6c632a6ea0d8a752df8ac7d565d_71_Dy4Er3Pt4

[ "Ca", "Cl", "Si" ]

4

A2BC

CaCl2Si

Ca1 Si1 Cl2

3

[ 1, 1, 1 ]

3

[ [ 3.29799553, 0.01005671, 0 ], [ -0.01077809, 3.29799325, 0 ], [ 0, 0, 12.15340767 ] ]

agm003859216

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[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]

[ "Ca", "Cl", "Cl", "Si" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ -0.1144422, 0.02171139, 0 ], [ 0.02171139, -0.11416788, 0 ], [ 0, 0, 0.107203 ] ]

-14.704441

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, -0.00035866 ], [ 0, 0, 0.00035866 ], [ 0, 0, 0 ] ]

0.001189

1.687641

pbe

true

c0929db3c259af588688293a5e0aeda2_123_Ca1Si1Cl2

[ "Ca", "H", "Pu" ]

15

A10B4C

Ca4H10Pu

Ca4 Pu1 H10

3

[ 1, 1, 1 ]

3

[ [ 3.74947129, 0, 0.46073445 ], [ 1.84642837, 3.26331641, 0.46073446 ], [ -0.04069295, -0.02373106, 15.81819224 ] ]

agm006010980

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[{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]

[ "Ca", "Ca", "Ca", "Ca", "Pu", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H" ]

2023-11-16 06:57:59

[ 0.26666666666666666, 0.6666666666666666, 0.06666666666666667 ]

[ [ 8.34297, 0.00520614, -0.07264426 ], [ 0.00520614, 8.337075, -0.04236365 ], [ -0.07264426, -0.04236365, 8.925228 ] ]

-63.651186

[ 0.017, 0, 0, 0.017, 5.296, -0.012, 0, 0, -0.025, 0, -0.025, 0, 0, -0.012, 0 ]

[ [ 0.0006729, 0.00039241, -0.00547612 ], [ 0.00032601, 0.00019012, -0.00265307 ], [ -0.00032601, -0.00019012, 0.00265307 ], [ -0.0006729, -0.00039241, 0.00547612 ], [ 0, 0, 0 ], [ 0.00048297, 0.00028165, -0.00393045 ], [ -0.00002142, -0.00001249, 0.00017428 ], [ 0.00006856, 0.00003998, -0.00055796 ], [ -0.00073158, -0.00042663, 0.00595358 ], [ 0.00001985, 0.00001158, -0.00016156 ], [ 0.00073158, 0.00042663, -0.00595358 ], [ 0.00002142, 0.00001249, -0.00017428 ], [ -0.00001985, -0.00001158, 0.00016156 ], [ -0.00048297, -0.00028165, 0.00393045 ], [ -0.00006856, -0.00003998, 0.00055796 ] ]

5.860912

4.635593

pbe

true

e2d288bab8ca8db180c73179a0d6ea89_166_Ca4Pu1H10

[ "Dy", "Pm", "S" ]

7

A3B2C2

Dy2Pm2S3

Pm2 Dy2 S3

3

[ 1, 1, 1 ]

3

[ [ 3.89866762, -0.00249935, -0.00226093 ], [ -1.94141158, 6.41845332, -0.99897953 ], [ 0.00220289, -0.07398785, 6.86075505 ] ]

agm005551557

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[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]

[ "Pm", "Pm", "Dy", "Dy", "S", "S", "S" ]

2023-11-16 06:57:59

[ 0.2857142857142857, 0.2857142857142857, 0.42857142857142855 ]

[ [ 0.3708075, 0.00765437, 0.00399165 ], [ 0.00765432, 0.20579723, -0.03962749 ], [ 0.00399156, -0.03962745, 0.18650939 ] ]

-43.147773

[ 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.00025085, -0.00302135, -0.00145636 ], [ 0.00025085, 0.00302135, 0.00145636 ], [ 0.00019505, -0.00130602, 0.00002125 ], [ -0.00019505, 0.00130602, -0.00002125 ], [ 0, 0, 0 ], [ -0.00021349, -0.00146979, -0.00193256 ], [ 0.00021349, 0.00146979, 0.00193256 ] ]

-0.000001

3.34784

pbe

true

583a72731dc74ed9cf2f3416239e4085_2_Pm2Dy2S3

[ "Ca", "Pr", "Tl" ]

12

A3B2C

CaPr3Tl2

Ca2 Pr6 Tl4

3

[ 1, 1, 1 ]

3

[ [ 5.59258164, 0, 0 ], [ -2.79629082, 9.90149046, -0.61149189 ], [ 0, -5.09560666, 7.59396894 ] ]

agm003423330

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[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}]

[ "Ca", "Ca", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Tl", "Tl", "Tl", "Tl" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.5, 0.3333333333333333 ]

[ [ 2.2335048, 0, 0 ], [ 0, 2.136868, -0.05007225 ], [ 0, -0.05007239, 2.1666367 ] ]

-44.288333

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, -0.00211491, 0.00126485 ], [ 0, 0.00211491, -0.00126485 ], [ 0, 0.00121015, 0.00179801 ], [ 0, 0.00165424, -0.00253239 ], [ 0, -0.00072967, -0.00302492 ], [ 0, 0.00072967, 0.00302492 ], [ 0, -0.00165424, 0.00253239 ], [ 0, -0.00121015, -0.00179801 ], [ 0, 0.00215626, -0.00136395 ], [ 0, -0.00215626, 0.00136395 ], [ 0, 0.00364659, -0.00125581 ], [ 0, -0.00364659, 0.00125581 ] ]

0

11.060693

pbe

true

10c9d7fbde6e51c0fe25f02e416de941_12_Ca2Pr6Tl4

[ "Er", "Pb", "Pd" ]

20

A15B4C

ErPb4Pd15

Er1 Pd15 Pb4

3

[ 1, 1, 1 ]

3

[ [ 4.10867793, 0, 0 ], [ 0, 4.10867793, 0 ], [ 0, 0, 20.55158564 ] ]

agm006040130

[ [ 0, 0, 0 ], [ 2.054338965, 2.054338965, 0 ], [ 2.054338965, 2.054338965, 4.117060514280197 ], [ 2.054338965, 2.054338965, 8.219016846210131 ], [ 2.054338965, 2.054338965, 12.332568793789866 ], [ 2.054338965, 2.054338965, 16.4345251257198 ], [ 2.054338965, 0, 2.0488459389548175 ], [ 2.054338965, 0, 6.1605813318798335 ], [ 2.054338965, 0, 10.27579282 ], [ 2.054338965, 0, 14.391004308120165 ], [ 2.054338965, 0, 18.502739701045183 ], [ 0, 2.054338965, 2.0488459389548175 ], [ 0, 2.054338965, 6.1605813318798335 ], [ 0, 2.054338965, 10.27579282 ], [ 0, 2.054338965, 14.391004308120165 ], [ 0, 2.054338965, 18.502739701045183 ], [ 0, 0, 4.106278330390027 ], [ 0, 0, 8.219619007669383 ], [ 0, 0, 12.331966632330614 ], [ 0, 0, 16.445307309609973 ] ]

[{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]

[ "Er", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pb", "Pb", "Pb", "Pb" ]

2023-11-16 06:57:59

[ 0.05, 0.2, 0.75 ]

[ [ 6.987524, 0, 0 ], [ 0, 6.987524, 0 ], [ 0, 0, 6.56829 ] ]

-105.568628

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00043459 ], [ 0, 0, -0.00400274 ], [ 0, 0, 0.00400274 ], [ 0, 0, 0.00043459 ], [ 0, 0, 0.00646735 ], [ 0, 0, 0.00070574 ], [ 0, 0, 0 ], [ 0, 0, -0.00070574 ], [ 0, 0, -0.00646735 ], [ 0, 0, 0.00646735 ], [ 0, 0, 0.00070574 ], [ 0, 0, 0 ], [ 0, 0, -0.00070574 ], [ 0, 0, -0.00646735 ], [ 0, 0, -0.00145562 ], [ 0, 0, 0.00462198 ], [ 0, 0, -0.00462198 ], [ 0, 0, 0.00145562 ] ]

0

4.899279

pbe

true

db4c0dfe5148dd34f540091ad4c42539_123_Er1Pd15Pb4

[ "H", "Na", "Tl" ]

4

A2BC

HNa2Tl

Na2 Tl1 H1

3

[ 1, 1, 1 ]

3

[ [ 3.47719124, 0.00235177, -0.00162787 ], [ 1.74063231, 3.01016007, -0.00162787 ], [ 1.73540993, 1.00193939, 8.22280891 ] ]

agm005113013

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[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}]

[ "Na", "Na", "Tl", "H" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 4.345517, 0.00619166, 0.00444045 ], [ 0.00619166, 4.3383675, 0.00256369 ], [ 0.00444058, 0.00256377, 4.0708203 ] ]

-8.73927

[ 0, 0, 0, 0 ]

[ [ -0.0006901, -0.00039843, 0.00344176 ], [ 0.00119646, 0.00069078, -0.00366678 ], [ -0.00113373, -0.00065456, 0.00153001 ], [ 0.00062737, 0.00036221, -0.001305 ] ]

-0.000001

1.017255

pbe

true

85bcd30b795a228ac3502466be39865a_160_Na2Tl1H1

[ "Ce", "Tl", "Tm" ]

7

A4B2C

Ce2Tl4Tm

Ce2 Tm1 Tl4

3

[ 1, 1, 1 ]

3

[ [ 6.18192454, -0.22841996, -2.31496978 ], [ -3.14734884, 5.46270262, -1.96990464 ], [ -0.13160509, 0.22841995, 6.5998453 ] ]

agm006061691

[ [ 3.09096227, -0.11420998, -1.15748489 ], [ 1.451485305, 2.731351305, 1.1574854399999999 ], [ -0.065802545, 0.114209975, 3.29992265 ], [ -1.57367442, 2.73135131, -0.98495232 ], [ 0, 0, 0 ], [ 1.51728785, 2.61714133, -2.14243721 ], [ 3.025159725, -4.999999997368221e-9, 2.14243776 ] ]

[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]

[ "Tl", "Tl", "Tl", "Tl", "Tm", "Ce", "Ce" ]

2023-11-16 06:57:59

[ 0.2857142857142857, 0.5714285714285714, 0.14285714285714285 ]

[ [ 2.4356332, 0.13921256, 0.1132548 ], [ 0.13921256, 2.2742157, -0.19657063 ], [ 0.1132548, -0.19657063, 2.3559232 ] ]

-26.634921

[ 0.016, 0.016, 0.016, 0.016, 0.14, 0.89, 0.89 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

2.479258

18.145811

pbe

true

36f4adc26ae7732a18100ddee2b71130_139_Ce2Tm1Tl4

[ "Hf", "Pd", "Sn" ]

10

A2B2C

Hf2Pd2Sn

Hf4 Sn2 Pd4

3

[ 1, 1, 1 ]

3

[ [ 7.9150711, 0, 0 ], [ 0, 7.9150711, 0 ], [ 0, 0, 3.21606985 ] ]

agm003008866

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[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]

[ "Hf", "Hf", "Hf", "Hf", "Sn", "Sn", "Pd", "Pd", "Pd", "Pd" ]

2023-11-16 06:57:59

[ 0.4, 0.4, 0.2 ]

[ [ 6.3255234, 0, 0 ], [ 0, 6.3255234, 0 ], [ 0, 0, -1.0961494 ] ]

-72.803581

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0.019759, 0.019759, 0 ], [ 0.019759, -0.019759, 0 ], [ -0.019759, -0.019759, 0 ], [ -0.019759, 0.019759, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00197766, 0.00197766, 0 ], [ 0.00197766, -0.00197766, 0 ], [ -0.00197766, -0.00197766, 0 ], [ -0.00197766, 0.00197766, 0 ] ]

0

7.740088

pbe

true

ac0860dd8ee5604989650e8e456dd3f7_127_Hf4Sn2Pd4

[ "Hg", "Pt", "Rh" ]

4

A2BC

Hg2PtRh

Hg2 Pt1 Rh1

3

[ 1, 1, 1 ]

3

[ [ 3.70520915, 0, 0 ], [ 0, 4.37666328, 0 ], [ 0, 0, 4.37731038 ] ]

agm003901885

[ [ 0, 0, 0.5475167400359394 ], [ 0, 2.18833164, 2.7361977561671815 ], [ 1.852604575, 0, 2.7358088759130226 ], [ 1.852604575, 2.18833164, 0.5464421541107531 ] ]

[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]

[ "Hg", "Hg", "Pt", "Rh" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 9.992742, 0, 0 ], [ 0, 10.47233, 0 ], [ 0, 0, 10.33385 ] ]

-13.586963

[ 0, 0, 0, 0 ]

[ [ 0, 0, -0.00128207 ], [ 0, 0, -0.00556011 ], [ 0, 0, 0.00101565 ], [ 0, 0, 0.00582653 ] ]

0

1.776652

pbe

true

bc753927254be512e700e09ba0c1a56f_123_Hg2Pt1Rh1

[ "Cu", "F", "K" ]

4

A2BC

Cu2FK

K1 Cu2 F1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.38998334, 3.38998334 ], [ 3.38998334, 0, 3.38998334 ], [ 3.38998334, 3.38998334, 0 ] ]

agm002671526

[ [ 3.38998334, 3.38998334, 3.38998334 ], [ 1.69499167, 1.69499167, 1.69499167 ], [ 5.08497501, 5.08497501, 5.08497501 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]

[ "K", "Cu", "Cu", "F" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ -0.11984306, 0, 0 ], [ 0, -0.11984306, 0 ], [ 0, 0, -0.11984306 ] ]

-9.993304

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0

2.158213

pbe

true

8f0c78749714f7e25d2ba8daf7bf5407_225_K1Cu2F1

[ "Cu", "H", "Zr" ]

10

A3BC

CuH3Zr

Zr2 Cu2 H6

3

[ 1, 1, 1 ]

3

[ [ 3.13804214, 0.65940963, 0 ], [ -0.45295752, 4.6669184, 0 ], [ 0, 0, 6.00565021 ] ]

agm005758451

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[ "Zr", "Zr", "Cu", "Cu", "H", "H", "H", "H", "H", "H" ]

2023-11-16 06:57:59

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10

A2B2C

In2Zn2Zr

Zr2 Zn4 In4

3

[ 1, 1, 1 ]

3

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agm003029699

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[ "Zn", "Zn", "Zn", "Zn", "Zr", "Zr", "In", "In", "In", "In" ]

2023-11-16 06:57:59

[ 0.4, 0.4, 0.2 ]

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[ "Dy", "Nd", "Pr" ]

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A6B5C

Dy5NdPr6

Pr6 Nd1 Dy5

3

[ 1, 1, 1 ]

3

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[ "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Nd", "Dy", "Dy", "Dy", "Dy", "Dy" ]

2023-11-16 06:57:59

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[ "Er", "Nb", "Re" ]

6

A3B2C

Er2NbRe3

Er2 Nb1 Re3

3

[ 1, 1, 1 ]

3

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[ "Er", "Er", "Nb", "Re", "Re", "Re" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.16666666666666666, 0.5 ]

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true

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[ "Ag", "Br" ]

6

A5B

Ag5Br

Ag5 Br1

2

[ 1, 1, 1 ]

3

[ [ 0, 3.97535685, 3.97535685 ], [ 3.97535685, 0, 3.97535685 ], [ 3.97535685, 3.97535685, 0 ] ]

agm005455712

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[ "Ag", "Ag", "Ag", "Ag", "Ag", "Br" ]

2023-11-16 06:57:59

[ 0.8333333333333334, 0.16666666666666666 ]

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1.452889

pbe

true

e52e23dc59d08d4bc0bea5a98ebedfa0_216_Ag5Br1

[ "As", "C" ]

2

AB

AsC

As1 C1

2

[ 1, 1, 1 ]

3

[ [ 4.80541473, -0.33870612, 0 ], [ -3.74973408, 3.02427295, 0 ], [ 0, 0, 2.88556903 ] ]

agm004438013

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[ "As", "C" ]

2023-11-16 06:57:59

[ 0.5, 0.5 ]

[ [ 0.57553124, -0.02574953, 0 ], [ -0.02574953, 0.5201485, 0 ], [ 0, 0, 0.12641849 ] ]

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0

0.147883

pbe

true

de22bd896c6d8d342e76f6032221f7a1_65_As1C1

[ "Cd", "La" ]

6

A5B

Cd5La

La1 Cd5

2

[ 1, 1, 1 ]

3

[ [ 2.98263097, -5.16606838, 0 ], [ 2.98263097, 5.16606838, 0 ], [ 0, 0, 4.83802837 ] ]

agm005433681

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}]

[ "La", "Cd", "Cd", "Cd", "Cd", "Cd" ]

2023-11-16 06:57:59

[ 0.8333333333333334, 0.16666666666666666 ]

[ [ 5.3821363, 0, 0 ], [ 0, 5.3821363, 0 ], [ 0, 0, 5.7718816 ] ]

-10.835651

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pbe

true

36a02396f0f6d09ccd5a4c1f72f9bf71_189_La1Cd5

[ "Ir", "Mg", "Ni" ]

4

A2BC

IrMgNi2

Mg1 Ni2 Ir1

3

[ 1, 1, 1 ]

3

[ [ 4.44126561, -0.38981473, -0.45653125 ], [ 1.62421251, 4.15195503, 0.45653135 ], [ -2.79146969, -2.27005426, 2.67203454 ] ]

agm004241056

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[ "Ir", "Mg", "Ni", "Ni" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

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-22.365264

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0.56406

5.082932

pbe

true

612339e7262c0ac95aa3026fff09e2f3_139_Mg1Ni2Ir1

[ "Li", "Nd", "Pt" ]

11

A6B3C2

Li6Nd2Pt3

Li6 Nd2 Pt3

3

[ 1, 1, 1 ]

3

[ [ 3.99079917, 0, 0 ], [ 0, 7.78213865, 0 ], [ 0, -3.89106932, 6.73952976 ] ]

agm003349521

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[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]

[ "Li", "Li", "Li", "Li", "Li", "Li", "Nd", "Nd", "Pt", "Pt", "Pt" ]

2023-11-16 06:57:59

[ 0.5454545454545454, 0.18181818181818182, 0.2727272727272727 ]

[ [ 2.17072, 0, 0 ], [ 0, 1.9665235, 0 ], [ 0, 0, 1.9665235 ] ]

-45.037101

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-0

4.138077

pbe

true

f5bef35176625182cee7426508c42863_189_Li6Nd2Pt3

[ "Ca", "I", "Sm" ]

4

A2BC

CaI2Sm

Ca1 Sm1 I2

3

[ 1, 1, 1 ]

3

[ [ 4.09822564, 0, 0 ], [ 2.04911282, 3.54916752, 0 ], [ 2.04911282, 1.18305584, 10.47154494 ] ]

agm002009522

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[ "I", "I", "Ca", "Sm" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 0.39936304, 0, 0 ], [ 0, 0.39936304, 0 ], [ 0, 0, 0.35962918 ] ]

-12.946963

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0.000812

3.997434

pbe

true

ccdd917ea62d3ac4452acfc3111cfafa_166_Ca1Sm1I2

[ "Ge", "Rh", "Sb" ]

10

A3BC

GeRh3Sb

Ge2 Sb2 Rh6

3

[ 1, 1, 1 ]

3

[ [ 4.31045702, 0, 0 ], [ 0, 5.56207687, 0 ], [ 0, 0, 7.40064369 ] ]

agm005777607

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[ "Ge", "Ge", "Sb", "Sb", "Rh", "Rh", "Rh", "Rh", "Rh", "Rh" ]

2023-11-16 06:57:59

[ 0.2, 0.6, 0.2 ]

[ [ 8.717809, 0, 0 ], [ 0, 8.698516, 0 ], [ 0, 0, 8.751905 ] ]

-64.626479

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0.000001

7.462574

pbe

true

4349abb41cb15f7a27b24ad3bf4235d5_26_Ge2Sb2Rh6

[ "Ca", "Mg" ]

6

A2B

Ca2Mg

Ca4 Mg2

2

[ 1, 1, 1 ]

3

[ [ 1.89530897, -3.28277144, 0 ], [ 1.89530897, 3.28277144, 0 ], [ 0, 0, 17.41430669 ] ]

agm005426966

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[{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]

[ "Ca", "Ca", "Ca", "Ca", "Mg", "Mg" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.3333333333333333 ]

[ [ 1.0031542, 0, 0 ], [ 0, 1.0031542, 0 ], [ 0, 0, 0.96094114 ] ]

-10.91178

[ 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0.00303024 ], [ 0, 0, -0.00303024 ], [ 0, 0, 0.00303024 ], [ 0, 0, -0.00303024 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000013

6.823526

pbe

true

98258170ccf1d9ca3e155f53502578cb_194_Ca4Mg2

[ "I", "O", "Pd" ]

10

A2B2C

I2OPd2

Pd4 I4 O2

3

[ 1, 1, 1 ]

3

[ [ 7.99907601, 0, 0 ], [ -3e-8, 4.73247342, 0 ], [ 0, 0, 20.3408236 ] ]

agm2000107470

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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]

[ "Pd", "Pd", "Pd", "Pd", "I", "I", "I", "I", "O", "O" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.4 ]

[ [ 0.08605036, 0, 0 ], [ 0, 0.09555064, 0 ], [ 0, 0, -0.2753379 ] ]

-36.383815

[ 0.383, 0.383, 0.383, 0.383, 0.061, 0.061, 0.061, 0.061, 0.592, 0.592 ]

[ [ 0.00094438, 0, -0.00442047 ], [ -0.00094438, 0, 0.00442047 ], [ -0.00094438, 0, -0.00442047 ], [ 0.00094438, 0, 0.00442047 ], [ -0.00288166, 0, -0.00320441 ], [ 0.00288166, 0, 0.00320441 ], [ 0.00288166, 0, -0.00320441 ], [ -0.00288166, 0, 0.00320441 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

3.310376

9.278628

pbe

true

0cd6400008d964958518fd69117e14d8_53_Pd4I4O2

[ "Mo", "Re", "Tb" ]

6

A3B2C

MoRe3Tb2

Tb2 Re3 Mo1

3

[ 1, 1, 1 ]

3

[ [ 4.81355935, -0.13461576, -2.52069802 ], [ -3.05832695, 4.48665415, -0.24283296 ], [ -0.20046371, 0.14473544, 5.46660322 ] ]

agm005846100

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[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}]

[ "Tb", "Tb", "Re", "Re", "Re", "Mo" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.5, 0.3333333333333333 ]

[ [ 9.801712, -0.01143189, -0.08104905 ], [ -0.01143188, 9.844459, -0.09626799 ], [ -0.08104903, -0.096268, 9.697899 ] ]

-58.200544

[ 0, 0, 0, 0, 0, 0 ]

[ [ 0.00043856, 0.00014847, 0.00051236 ], [ -0.00043856, -0.00014847, -0.00051236 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000004

3.015793

pbe

true

159db457fc4d096b55d60f60cce305a9_12_Tb2Re3Mo1

[ "O", "S", "U" ]

5

A2B2C

O2SU2

U2 S1 O2

3

[ 1, 1, 1 ]

3

[ [ 3.82943809, 0, 0 ], [ 0, 4.25012621, 0 ], [ -1.91471905, -2.1250631, 6.20974399 ] ]

agm003400091

[ [ 1.914719043405516, 1.5944842411625731e-9, 1.9802677356199916 ], [ -3.405515863540501e-9, 2.1250631084055156, 4.229476254380009 ], [ 0, 0, 0 ], [ -2.716718454909245e-9, 2.7167182942834214e-9, 3.3740251513844832 ], [ 1.9147190427167184, 2.1250631072832817, 2.8357188386155165 ] ]

[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}]

[ "U", "U", "S", "O", "O" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.4 ]

[ [ 0.44439194, 0, 0 ], [ 0, 0.11977409, 0 ], [ 0, 0, 0.34356862 ] ]

-48.244678

[ 2.634, 2.634, -0.082, -0.071, -0.071 ]

[ [ 0, 0, 0.00242734 ], [ 0, 0, -0.00242734 ], [ 0, 0, 0 ], [ 0, 0, 0.0003813 ], [ 0, 0, -0.0003813 ] ]

5.863947

10.740558

pbe

true

b829e55891af02a95cdc7b08add7d846_71_U2S1O2

[ "Al", "Fe", "Rh", "Y" ]

4

ABCD

AlFeRhY

Al1 Fe1 Rh1 Y1

4

[ 1, 1, 1 ]

3

[ [ 0, 3.181403, 3.181403 ], [ 3.181403, 0, 3.181403 ], [ 3.181403, 3.181403, 0 ] ]

oqmd-2642751

[ [ 0, 0, 0 ], [ 4.7721100000000005, 4.7721100000000005, 4.7721100000000005 ], [ 1.5907000000000004, 1.5907000000000004, 1.5907000000000004 ], [ 3.18141, 3.18141, 3.18141 ] ]

[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Al", "Fe", "Rh", "Y" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 14.56735, 0, 0 ], [ 0, 14.56735, 0 ], [ 0, 0, 14.56735 ] ]

-27.2812

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.886966

null

pbe

false

0a89a74ffe94d36e71f6d1370e446107_216_Y1Al1Fe1Rh1

[ "Ag", "Na", "Te", "Ti" ]

18

A4B3CD

Ag3NaTe4Ti

Ag3 Na1 Te4 Ti1

4

[ 1, 1, 1 ]

3

[ [ 6.471221407, 0, 0 ], [ 0, 8.734212336, 0 ], [ -1.676985164, 0, 9.451808346 ] ]

oqmd-6818971

[ [ 0.89793, 2.18355, 2.59071 ], [ 4.21102, 4.56966, 4.720549999999999 ], [ 4.21102, 8.53166, 4.720549999999999 ], [ 0.58322, 0.20255, 4.73125 ], [ 0.58322, 4.16456, 4.73125 ], [ 3.8963, 6.55066, 6.8611 ], [ 0.7640799999999999, 6.55066, 0.57562 ], [ 4.030149999999999, 2.18355, 8.87619 ], [ 2.6927299999999996, 2.18355, 0.45616 ], [ 5.56656, 4.38662, 2.250830000000001 ], [ 5.56656, 8.7147, 2.250830000000001 ], [ 2.09819, 6.55066, 4.54742 ], [ 2.696039999999999, 2.18355, 4.90439 ], [ -0.7723299999999998, 0.01951, 7.20098 ], [ -0.7723299999999998, 4.3476, 7.20098 ], [ 2.1014999999999997, 6.55066, 8.995650000000001 ], [ 4.112949999999999, 2.18355, 2.57931 ], [ 0.68129, 6.55066, 6.8725 ] ]

[{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]

[ "Ag", "Ag", "Ag", "Ag", "Ag", "Ag", "Na", "Na", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Ti", "Ti" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.1111111111111111, 0.4444444444444444, 0.1111111111111111 ]

[ [ 11.02236003, 0, 3.63269498 ], [ 0, 14.80644648, 0 ], [ 3.63269498, 0, 4.76448553 ] ]

-67.6784

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.009078, 0, 0.013311 ], [ 0.005895, 0.006888, 0.01471 ], [ 0.005895, -0.006888, 0.01471 ], [ -0.005895, 0.006888, -0.01471 ], [ -0.005895, -0.006888, -0.01471 ], [ 0.009078, 0, -0.013311 ], [ -0.029034, 0, -0.034641 ], [ 0.029034, 0, 0.034641 ], [ 0.004796, 0, 0.032958 ], [ 0.006385, -0.004942, 0.029902 ], [ 0.006385, 0.004942, 0.029902 ], [ 0.00283, 0, 0.023093 ], [ -0.00283, 0, -0.023093 ], [ -0.006385, -0.004942, -0.029902 ], [ -0.006385, 0.004942, -0.029902 ], [ -0.004796, 0, -0.032958 ], [ -0.012138, 0, -0.017537 ], [ 0.012138, 0, 0.017537 ] ]

0.00326

null

pbe

false

18d5fd4c75946fdd7105481cc6e6ccea_11_Na2Ti2Ag6Te8

[ "Al", "Cd", "Tc" ]

4

A2BC

AlCdTc2

Al1 Cd1 Tc2

3

[ 1, 1, 1 ]

3

[ [ 0, 3.147923, 3.147923 ], [ 3.147923, 0, 3.147923 ], [ 3.147923, 3.147923, 0 ] ]

oqmd-2320724

[ [ 3.1479199999999983, 3.1479199999999983, 3.1479199999999983 ], [ 1.5739600000000022, 1.5739600000000022, 1.5739600000000022 ], [ 0, 0, 0 ], [ 4.7218800000000005, 4.7218800000000005, 4.7218800000000005 ] ]

[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]

[ "Al", "Cd", "Tc", "Tc" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.5 ]

[ [ 15.61307, 0, 0 ], [ 0, 15.61307, 0 ], [ 0, 0, 15.61307 ] ]

-24.7833

[ 0, 0, -0.001, 0.001 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.001556

null

pbe

true

fd858f2d9ec6108503840e5d8758d657_216_Al1Cd1Tc2

[ "Cr", "Ge", "Hf", "Rh" ]

4

ABCD

CrGeHfRh

Cr1 Ge1 Hf1 Rh1

4

[ 1, 1, 1 ]

3

[ [ 0, 3.114627, 3.114627 ], [ 3.114627, 0, 3.114627 ], [ 3.114627, 3.114627, 0 ] ]

oqmd-2556823

[ [ 4.671940000000002, 4.671940000000002, 4.671940000000002 ], [ 0, 0, 0 ], [ 3.1146199999999977, 3.1146199999999977, 3.1146199999999977 ], [ 1.557310000000002, 1.557310000000002, 1.557310000000002 ] ]

[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]

[ "Cr", "Ge", "Hf", "Rh" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ -2.68661, 0, 0 ], [ 0, -2.68661, 0 ], [ 0, 0, -2.68661 ] ]

-32.6245

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.991944

null

pbe

false

677e6bc2d7c86ead8f258bc2a1abb6bb_216_Hf1Cr1Ge1Rh1

[ "Cs", "Se", "Si" ]

10

A6B3C

Cs6SeSi3

Cs6 Se1 Si3

3

[ 1, 1, 1 ]

3

[ [ 6.911461, 0.00367, 0.003381 ], [ -2.888868, 6.447561, -0.000948 ], [ -1.208076, -3.156841, 10.144711 ] ]

oqmd-2525351

[ [ 0.26326000000000005, -0.08666999999999922, 1.1210599999999984 ], [ 0.4302100000000008, 4.315840000000002, 2.6670999999999996 ], [ 4.106690000000003, 1.9104699999999977, 3.346400000000004 ], [ 3.725530000000001, -1.6946900000000025, 6.720830000000005 ], [ -2.4283300000000003, 2.3484400000000005, 7.373450000000002 ], [ 0.6203400000000024, 0.2525600000000023, 8.944459999999996 ], [ 3.952520000000004, -0.4491300000000006, 10.127319999999996 ], [ 0.1191500000000021, -0.9382900000000008, 4.914980000000001 ], [ 0.7443599999999988, 1.1419100000000022, 5.13567 ], [ 2.601090000000003, -2.5629299999999993, 10.082179999999996 ] ]

[{"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]

[ "Cs", "Cs", "Cs", "Cs", "Cs", "Cs", "Se", "Si", "Si", "Si" ]

2024-11-01 00:00:00

[ 0.6, 0.1, 0.3 ]

[ [ 1.58957, -0.07909, -0.0123 ], [ -0.07909, 1.37113, 0.08349 ], [ -0.0123, 0.08349, 1.50779 ] ]

-25.9156

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0.012232, -0.014327, -0.020974 ], [ -0.007915, -0.013923, -0.009706 ], [ 0.004406, -0.005061, 0.000277 ], [ 0.007222, 0.015572, -0.007091 ], [ 0.004268, 0.00243, 0.001204 ], [ -0.007646, 0.004224, 0.027787 ], [ 0.002241, -0.000418, 0.004574 ], [ -0.008538, -0.019171, -0.022331 ], [ 0.007031, 0.02261, 0.02302 ], [ -0.0133, 0.008063, 0.003239 ] ]

null

pbe

false

a1961534e769e5147ea25376d6c535eb_1_Cs6Si3Se1

[ "Cr", "Cu", "Ir", "Mg" ]

4

ABCD

CrCuIrMg

Cr1 Cu1 Ir1 Mg1

4

[ 1, 1, 1 ]

3

[ [ 0, 3.040823, 3.040823 ], [ 3.040823, 0, 3.040823 ], [ 3.040823, 3.040823, 0 ] ]

oqmd-2889525

[ [ 0, 0, 0 ], [ 4.561239999999998, 4.561239999999998, 4.561239999999998 ], [ 1.52041, 1.52041, 1.52041 ], [ 3.04082, 3.04082, 3.04082 ] ]

[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]

[ "Cr", "Cu", "Ir", "Mg" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 1.26333, 0, 0 ], [ 0, 1.26333, 0 ], [ 0, 0, 1.26333 ] ]

-23.6472

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

2.40936

null

pbe

false

bc3e63a8e4b542239454f5cced17d26a_216_Mg1Cr1Cu1Ir1

[ "C", "Co", "Gd", "Si", "Tm" ]

7

A2B2CDE

CCo2GdSi2Tm

C1 Co2 Gd1 Si2 Tm1

5

[ 1, 1, 1 ]

3

[ [ 5.265091213, -1.932271555, 0 ], [ 5.265091213, 1.932271555, 0 ], [ -4.318111871, 0, 5.215748541 ] ]

oqmd-6683959

[ [ 6.216980000000002, 1.036149889729182e-16, 5.18534 ], [ 1.7134600000000002, -1.2308138899465135e-16, 0.45457999999999993 ], [ 4.493570000000001, -1.5971877803717635e-16, 4.75133 ], [ 4.6557900000000005, -1.4543325613652382e-16, 1.55854 ], [ 7.603590000000001, -2.1039545013543535e-16, 1.55518 ], [ -1.39897, 5.1898106347542526e-17, 3.68054 ], [ 1.5638600000000002, 1.1969442670999334e-17, 3.67749 ] ]

[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]

[ "C", "Co", "Co", "Gd", "Si", "Si", "Tm" ]

2024-11-01 00:00:00

[ 0.14285714285714285, 0.2857142857142857, 0.14285714285714285, 0.2857142857142857, 0.14285714285714285 ]

[ [ 10.07217866, 0, 0.01457508 ], [ 0, 8.45508196, 0 ], [ 0.01457508, 0, 8.36973123 ] ]

-48.188

[ 0, 0.005, 0.008, 0.001, 0, 0, 0.001 ]

[ [ -0.019646, 0, -0.062565 ], [ 0.024927, 0, 0.031499 ], [ -0.030883, 0, 0.026323 ], [ -0.017326, 0, 0.00634 ], [ 0.031541, 0, 0.010668 ], [ -0.006558, 0, -0.009047 ], [ 0.017944, 0, -0.003218 ] ]

0.018196

null

pbe

true

b7af613cd8c2f4b703fc8d283ca459b1_8_Gd1Tm1Co2Si2C1

[ "C", "F", "H", "N", "O", "S" ]

76

A8B3C3D3EF

C3F3H8NO3S

C3 F3 H8 N1 O3 S1

6

[ 1, 1, 1 ]

3

[ [ 8.367080636, 0, 0 ], [ 0, 7.789766013, 0 ], [ -0.36656462, 0, 10.314891828 ] ]

oqmd-5866940

[ [ 3.26196, 1.7592699999999997, 0.31557 ], [ 6.33103, 2.9560699999999995, 1.63808 ], [ 1.71575, 4.850369999999999, 2.05756 ], [ 6.46804, 0.9554899999999998, 3.09989 ], [ 1.85277, 6.85095, 3.51936 ], [ 4.92184, 5.65415, 4.84187 ], [ 3.078679999999999, 2.13561, 5.47302 ], [ 6.14774, 0.93881, 6.79553 ], [ 1.53247, 6.83428, 7.215 ], [ 6.28476, 2.9394, 8.25734 ], [ 1.66949, 4.8337, 8.67681 ], [ 4.73856, 6.0305, 9.99932 ], [ 3.38576, 3.0645100000000003, 0.66145 ], [ 4.613319999999999, 6.170649999999999, 0.9413899999999998 ], [ 4.018090000000001, 1.0248, 1.16547 ], [ 4.16571, 4.919679999999999, 3.99197 ], [ 3.57048, 2.2757699999999996, 4.21606 ], [ 4.798039999999999, 6.959389999999999, 4.49599 ], [ 3.20248, 0.83037, 5.8189 ], [ 4.43004, 5.513999999999999, 6.09883 ], [ 3.83481, 2.87008, 6.32292 ], [ 3.98243, 6.76497, 9.14942 ], [ 3.38719, 1.6191199999999997, 9.373500000000002 ], [ 4.61476, 4.72526, 9.653439999999998 ], [ 6.21901, 2.2842299999999995, 0.7854499999999999 ], [ 1.1113499999999998, 4.41711, 1.25766 ], [ 6.879499999999998, 3.85512, 1.35401 ], [ 1.0516799999999995, 6.73357, 1.60907 ], [ 2.726630000000001, 5.04653, 1.69994 ], [ 5.354379999999999, 3.2416699999999996, 2.03372 ], [ 6.43787, 0.2891599999999999, 2.2354 ], [ 8.05746, 2.0571699999999997, 2.3848900000000004 ], [ 0.12634, 5.95205, 2.77255 ], [ 1.74592, 4.18404, 2.92205 ], [ 2.82941, 7.136550000000001, 3.12373 ], [ 5.457169999999999, 1.15165, 3.4575 ], [ 7.132119999999999, 2.83869, 3.54838 ], [ 1.3043, 7.749999999999999, 3.80344 ], [ 7.07245, 0.5222299999999999, 3.89979 ], [ 1.96478, 6.17911, 4.372 ], [ 6.03573, 1.61065, 5.94289 ], [ 0.92806, 7.267540000000001, 6.41511 ], [ 6.696219999999999, 0.03976, 6.51145 ], [ 0.8684, 4.95108, 6.76652 ], [ 2.54334, 6.638119999999999, 6.85739 ], [ 5.171099999999999, 0.65321, 7.19117 ], [ 6.254589999999999, 3.6057199999999994, 7.39284 ], [ 7.874179999999998, 1.8377099999999995, 7.54234 ], [ -0.05693999999999998, 5.7326, 7.929999999999999 ], [ 1.5626399999999998, 7.500609999999999, 8.0795 ], [ 2.646129999999999, 4.5481, 8.28117 ], [ 5.273889999999999, 2.7432399999999997, 8.61495 ], [ 6.94884, 1.0561999999999998, 8.70582 ], [ 1.12102, 3.93465, 8.96089 ], [ 6.88917, 3.37266, 9.05723 ], [ 1.7815000000000003, 5.50554, 9.529439999999996 ], [ 1.1067899999999995, 6.13872, 2.4593399999999996 ], [ 7.07701, 2.24384, 2.6981 ], [ 0.9235099999999998, 5.54593, 7.61679 ], [ 6.89373, 1.6510499999999997, 7.85555 ], [ 1.55361, 7.610089999999999, 0.05183 ], [ 7.56687, 5.68121, 0.4976199999999999 ], [ 1.20098, 1.45805, 1.83758 ], [ 6.98282, 5.352929999999999, 3.31986 ], [ 0.6169199999999998, 1.7863299999999998, 4.65982 ], [ 6.630189999999999, 3.71521, 5.10562 ], [ 1.3703300000000005, 4.074559999999999, 5.20928 ], [ 7.383590000000001, 6.003439999999999, 5.655070000000001 ], [ 1.0177000000000005, 2.43683, 6.99503 ], [ 6.7995399999999995, 6.331719999999999, 8.47731 ], [ 0.43364, 2.10856, 9.81727 ], [ 6.446909999999999, 0.17967999999999995, 10.26306 ], [ 1.49649, 1.23407, 0.42182 ], [ 6.68731, 5.12895, 4.73563 ], [ 1.31321, 2.66081, 5.57926 ], [ 6.50403, 6.5557, 9.893070000000002 ] ]

[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}]

[ "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "N", "N", "N", "N", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "S", "S", "S", "S" ]

2024-11-01 00:00:00

[ 0.15789473684210523, 0.15789473684210523, 0.42105263157894735, 0.05263157894736842, 0.15789473684210523, 0.05263157894736842 ]

[ [ 41.73510276, 0, 0.36587368 ], [ 0, 40.2700117, 0 ], [ 0.36587368, 0, 35.52600496 ] ]

-408.082

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0.001994, -0.00084, -0.010409 ], [ -0.003819, 0.007021, -0.036481 ], [ 0.009894, -0.037765, -0.003552 ], [ -0.009894, -0.037765, 0.003552 ], [ 0.003819, 0.007021, 0.036481 ], [ -0.001994, -0.00084, 0.010409 ], [ 0.001994, 0.00084, -0.010409 ], [ -0.003819, -0.007021, -0.036481 ], [ 0.009894, 0.037765, -0.003552 ], [ -0.009894, 0.037765, 0.003552 ], [ 0.003819, -0.007021, 0.036481 ], [ -0.001994, 0.00084, 0.010409 ], [ -0.008913, -0.004883, 0.029485 ], [ 0.029099, -0.005928, 0.011995 ], [ -0.014634, -0.006358, -0.035924 ], [ 0.014634, -0.006358, 0.035924 ], [ -0.029099, -0.005928, -0.011995 ], [ 0.008913, -0.004883, -0.029485 ], [ -0.008913, 0.004883, 0.029485 ], [ 0.029099, 0.005928, 0.011995 ], [ -0.014634, 0.006358, -0.035924 ], [ 0.014634, 0.006358, 0.035924 ], [ -0.029099, 0.005928, -0.011995 ], [ 0.008913, 0.004883, -0.029485 ], [ -0.001233, -0.002378, 0.031423 ], [ 0.009239, 0.00672, 0.009502 ], [ -0.000168, -0.029756, 0.008736 ], [ -0.004817, -0.040344, 0.0561 ], [ 0.002916, -0.001787, 0.019842 ], [ -0.007189, -0.001653, -0.007375 ], [ -0.003834, 0.014658, 0.014909 ], [ -0.06502, 0.003663, 0.036686 ], [ 0.06502, 0.003663, -0.036686 ], [ 0.003834, 0.014658, -0.014909 ], [ 0.007189, -0.001653, 0.007375 ], [ -0.002916, -0.001787, -0.019842 ], [ 0.004817, -0.040344, -0.0561 ], [ 0.000168, -0.029756, -0.008736 ], [ -0.009239, 0.00672, -0.009502 ], [ 0.001233, -0.002378, -0.031423 ], [ -0.001233, 0.002378, 0.031423 ], [ 0.009239, -0.00672, 0.009502 ], [ -0.000168, 0.029756, 0.008736 ], [ -0.004817, 0.040344, 0.0561 ], [ 0.002916, 0.001787, 0.019842 ], [ -0.007189, 0.001653, -0.007375 ], [ -0.003834, -0.014658, 0.014909 ], [ -0.06502, -0.003663, 0.036686 ], [ 0.06502, -0.003663, -0.036686 ], [ 0.003834, -0.014658, -0.014909 ], [ 0.007189, 0.001653, 0.007375 ], [ -0.002916, 0.001787, -0.019842 ], [ 0.004817, 0.040344, -0.0561 ], [ 0.000168, 0.029756, -0.008736 ], [ -0.009239, -0.00672, -0.009502 ], [ 0.001233, 0.002378, -0.031423 ], [ -0.140839, 0.039917, -0.0435 ], [ 0.140839, 0.039917, 0.0435 ], [ -0.140839, -0.039917, -0.0435 ], [ 0.140839, -0.039917, 0.0435 ], [ -0.009866, 0.00704, -0.005847 ], [ 0.007808, -0.002145, -0.022987 ], [ 0.010999, 0.005307, -0.051035 ], [ -0.010999, 0.005307, 0.051035 ], [ -0.007808, -0.002145, 0.022987 ], [ 0.009866, 0.00704, 0.005847 ], [ -0.009866, -0.00704, -0.005847 ], [ 0.007808, 0.002145, -0.022987 ], [ 0.010999, -0.005307, -0.051035 ], [ -0.010999, -0.005307, 0.051035 ], [ -0.007808, 0.002145, 0.022987 ], [ 0.009866, -0.00704, 0.005847 ], [ -0.019949, 0.019261, 0.077679 ], [ 0.019949, 0.019261, -0.077679 ], [ -0.019949, -0.019261, 0.077679 ], [ 0.019949, -0.019261, -0.077679 ] ]

null

pbe

false

95b2f4556ca5263865d52cb608835575_14_H32C12S4N4O12F12

[ "Au", "Ca", "In" ]

4

A2BC

AuCa2In

Au1 Ca2 In1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.617677336, 3.617677336 ], [ 3.617677336, 0, 3.617677336 ], [ 3.617677336, 3.617677336, 0 ] ]

oqmd-5318876

[ [ 1.8088399999999984, 1.8088399999999984, 1.8088399999999984 ], [ 0, 0, 0 ], [ 5.426520000000002, 5.426520000000002, 5.426520000000002 ], [ 3.617679999999997, 3.617679999999997, 3.617679999999997 ] ]

[{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}]

[ "Au", "Ca", "Ca", "In" ]

2024-11-01 00:00:00

[ 0.25, 0.5, 0.25 ]

[ [ 4.45480695, 0, 0 ], [ 0, 4.45480695, 0 ], [ 0, 0, 4.45480695 ] ]

-11.838

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

null

pbe

false

b1228313bfca0e7c910ea527fa94ba5b_216_Ca2In1Au1

[ "Ag", "Cu" ]

9

A7B2

Ag7Cu2

Ag7 Cu2

2

[ 1, 1, 1 ]

3

[ [ 7.402755889, -1.452284972, 0 ], [ 7.402755889, 1.452284972, 0 ], [ -4.810109979, 0, 7.01786897 ] ]

oqmd-9470678

[ [ 0, 0, 0 ], [ 9.83738, -1.3642761468676458e-16, 0.08505999999999998 ], [ 11.52804, -1.887193409255313e-16, 2.33189 ], [ 6.733329999999999, -1.7910534772546048e-16, 2.3673 ], [ 3.262069999999999, -2.0462664289774919e-16, 4.65057 ], [ -1.5326399999999998, -4.1377701212263435e-17, 4.68598 ], [ 0.15801999999999936, -1.4157950574455282e-16, 6.932810000000001 ], [ 1.66644, -1.0497994094926643e-16, 2.43866 ], [ 8.32896, -1.5782503360658067e-16, 4.57921 ] ]

[{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]

[ "Ag", "Ag", "Ag", "Ag", "Ag", "Ag", "Ag", "Cu", "Cu" ]

2024-11-01 00:00:00

[ 0.7777777777777778, 0.2222222222222222 ]

[ [ 2.28597194, 0, 1.7064879 ], [ 0, -3.12348662, 0 ], [ 1.7064879, 0, 3.54098946 ] ]

-26.6586

[ 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ -0.007715, 0, 0.068122 ], [ 0.006713, 0, -0.014682 ], [ -0.017747, 0, -0.001274 ], [ 0.017747, 0, 0.001274 ], [ -0.006713, 0, 0.014682 ], [ 0.007715, 0, -0.068122 ], [ 0.01778, 0, -0.007731 ], [ -0.01778, 0, 0.007731 ] ]

null

pbe

true

6a03d431d4b0d934619d09952e1288b6_12_Cu2Ag7

[ "Tc", "Ti" ]

8

AB

TcTi

Tc1 Ti1

2

[ 1, 1, 1 ]

3

[ [ 4.80213, -2.771754, 0 ], [ 0.000681, 5.544687, 0 ], [ 0, 0, 4.613138 ] ]

oqmd-2398453

[ [ 0, 0, 0 ], [ 1.6330399999999992, 0.000040000000001849307, 2.3065699999999993 ], [ 3.985999999999999, -1.3580500000000002, 2.3065699999999993 ], [ 3.986259999999998, 1.35858, 2.3065699999999993 ], [ 0.004739999999999999, 2.772400000000001, 0 ], [ 2.3991300000000013, 1.3903899999999974, 0 ], [ 2.3994900000000023, 4.155039999999999, 0 ], [ 1.6010600000000006, 2.77272, 2.3065699999999993 ] ]

[{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]

[ "Tc", "Tc", "Tc", "Tc", "Ti", "Ti", "Ti", "Ti" ]

2024-11-01 00:00:00

[ 0.5, 0.5 ]

[ [ 8.17921, 0.28829, 0 ], [ 0.28829, 7.80479, 0 ], [ 0, 0, 12.17671 ] ]

-72.5024

[ 0.001, 0.006, 0.006, 0.006, 0.048, 0.048, 0.048, 0.02 ]

[ [ 0.000211, 0.000291, 0 ], [ -0.038548, 0.000461, 0 ], [ 0.018434, -0.031855, 0 ], [ 0.018903, 0.033656, 0 ], [ 0.095039, 0.000437, 0 ], [ -0.046451, 0.079845, 0 ], [ -0.048071, -0.081815, 0 ], [ 0.000484, -0.001021, 0 ] ]

0.196454

null

pbe

false

0e1608c681364f17a6cb67ab04b4f246_187_Ti4Tc4

[ "Ag", "Al", "Ca" ]

12

A7B3C2

Ag2Al7Ca3

Ag2 Al7 Ca3

3

[ 1, 1, 1 ]

3

[ [ 4.871525875, -2.813776916, 0 ], [ 4.871525875, 2.813776916, 0 ], [ -3.229074749, 0, 8.92801835 ] ]

oqmd-7781416

[ [ 3.2486, 2.883889700932506e-17, 0.06061 ], [ 3.2653700000000008, -8.593700994819207e-17, 8.8674 ], [ 4.908500000000001, 5.081839196112221e-19, 2.20559 ], [ 2.4345000000000003, -1.4363199999999998, 2.20838 ], [ 2.4345, 1.4363199999999998, 2.20838 ], [ 3.2569899999999996, -5.784627127539147e-17, 4.46401 ], [ 4.07947, -1.4363199999999996, 6.719640000000001 ], [ 4.07947, 1.4363199999999996, 6.719640000000001 ], [ 1.60548, -2.5853339565228985e-17, 6.72243 ], [ 0, 0, 0 ], [ 0.01065000000000002, -2.4456588640401217e-17, 3.82321 ], [ 6.503320000000001, -1.7140361417903514e-16, 5.10481 ] ]

[{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}]

[ "Ag", "Ag", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Ca", "Ca", "Ca" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.5833333333333334, 0.25 ]

[ [ 6.27942922, 0, -0.63164246 ], [ 0, 6.0127199, 0 ], [ -0.63164246, 0, 5.99301124 ] ]

-41.6536

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.006209, 0, 0.002706 ], [ 0.006209, 0, -0.002706 ], [ 0.003879, 0, 0.011001 ], [ -0.0151, 0.018498, 0.002262 ], [ -0.0151, -0.018498, 0.002262 ], [ 0, 0, 0 ], [ 0.0151, 0.018498, -0.002262 ], [ 0.0151, -0.018498, -0.002262 ], [ -0.003879, 0, -0.011001 ], [ 0, 0, 0 ], [ 0.006092, 0, 0.047773 ], [ -0.006092, 0, -0.047773 ] ]

null

pbe

false

83081c31ece904cf703607a198ad832d_12_Ca3Al7Ag2

[ "Au", "Ga", "Ti" ]

12

A6B5C

AuGa5Ti6

Au1 Ga5 Ti6

3

[ 1, 1, 1 ]

3

[ [ -1.989258989, 3.993493701, 5.965386036 ], [ 1.989258989, -3.993493701, 5.965386036 ], [ 1.989258989, 3.993493701, -5.965386036 ] ]

oqmd-9438116

[ [ 0, 0, 0 ], [ -2.5209083486426496e-17, -5.238502465539236e-17, 3.92539 ], [ -1.0161304583906625e-16, 8.628923238867956e-17, 8.00539 ], [ 1.9709868468872064e-17, 3.99349, -6.138063251564716e-17 ], [ -9.131243399364359e-17, 3.993490000000001, 4.046059999999999 ], [ 1.98926, -2.908425007488513e-17, 1.91933 ], [ 1.9821979080772822e-16, 1.89092, 5.96539 ], [ -4.5966316651214714e-17, 2.05966, 2.0067399999999997 ], [ 1.98926, -1.93384, 3.95865 ], [ -2.4220485768067753e-16, 5.927330000000001, 2.006740000000001 ], [ 1.98926, 1.933840000000001, 3.95865 ], [ 1.98926, 2.102580000000001, -6.570488757972947e-16 ] ]

[{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]

[ "Au", "Ga", "Ga", "Ga", "Ga", "Ga", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti" ]

2024-11-01 00:00:00

[ 0.08333333333333333, 0.4166666666666667, 0.5 ]

[ [ 3.7471846, 0, 0 ], [ 0, 8.23328576, 0 ], [ 0, 0, 5.09026018 ] ]

-70.5879

[ 0.001, 0, 0, 0, 0, 0, 0.016, 0, 0, 0, 0, 0.016 ]

[ [ 0, 0, 0 ], [ 0, 0, 0.005723 ], [ 0, 0, -0.005723 ], [ 0, 0, 0 ], [ 0, 0, 0.015777 ], [ 0, 0, -0.015777 ], [ 0, 0.000378, 0 ], [ 0, 0.001939, 0.000105 ], [ 0, 0.001939, -0.000105 ], [ 0, -0.001939, 0.000105 ], [ 0, -0.001939, -0.000105 ], [ 0, -0.000378, 0 ] ]

0.044744

null

pbe

false

ea684f3af6167584524a026c7e309376_71_Ti6Ga5Au1

[ "Bi", "Mg", "Rb" ]

3

ABC

BiMgRb

Bi1 Mg1 Rb1

3

[ 1, 1, 1 ]

3

[ [ 0, 4.005161, 4.005161 ], [ 4.005161, 0, 4.005161 ], [ 4.005161, 4.005161, 0 ] ]

oqmd-3751273

[ [ 2.0025800000000027, 2.0025800000000027, 2.0025800000000027 ], [ 6.007739999999999, 6.007739999999999, 6.007739999999999 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]

[ "Bi", "Mg", "Rb" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 1.59999, 0, 0 ], [ 0, 1.59999, 0 ], [ 0, 0, 1.59999 ] ]

-5.17273

[ 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

null

pbe

false

0152510ac7ba941381abfc3b74bf91cb_216_Rb1Mg1Bi1

[ "Pb", "Pd", "Yb" ]

12

ABC

PbPdYb

Pb1 Pd1 Yb1

3

[ 1, 1, 1 ]

3

[ [ 7.223802466, 0, 0 ], [ 0, 4.537429613, 0 ], [ 0, 0, 8.628190038 ] ]

oqmd-6177903

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[{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Yb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Yb"]}]

[ "Pb", "Pb", "Pb", "Pb", "Pd", "Pd", "Pd", "Pd", "Yb", "Yb", "Yb", "Yb" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 4.46944044, 0, 0 ], [ 0, 10.72282081, 0 ], [ 0, 0, 0.98869744 ] ]

-49.9505

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

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null

pbe

false

389b961b5cb55179299830d0b092cd82_62_Yb4Pd4Pb4