LeMaterial/LeMat-Bulk · Datasets at Hugging Face

[ "Ag", "Ge" ]

4

A3B

Ag3Ge

Ag3 Ge1

2

[ 1, 1, 1 ]

3

[ [ 2.96279349, 0, 0 ], [ -1.48139675, 2.56585443, 0 ], [ 0, 0, 9.52439855 ] ]

agm003185102

[ [ -1.814730079897345e-8, 1.710569628552848, 4.762199275 ], [ -1.814730079897345e-8, 1.710569628552848, 0 ], [ 1.481396758147301, 0.8552848014471518, 7.142966510990606 ], [ 1.481396758147301, 0.8552848014471518, 2.381432039009395 ] ]

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

[ "Ge", "Ag", "Ag", "Ag" ]

2023-11-16 06:57:59

[ 0.75, 0.25 ]

[ [ 6.7106004, 0, 0 ], [ 0, 6.7106004, 0 ], [ 0, 0, 7.677922 ] ]

-12.788597

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00105884 ], [ 0, 0, -0.00105884 ] ]

0.000001

0.843984

pbe

true

4dabf72c201d59bb8bbb122aae0ad71c_187_Ag3Ge1

[ "Si", "Tb" ]

5

A3B2

Si2Tb3

Tb3 Si2

2

[ 1, 1, 1 ]

3

[ [ 4.34686679, 0, 0 ], [ 2.17343339, 5.39893256, 0.07482464 ], [ 2.17343339, 1.65766018, 5.13869967 ] ]

agm003286640

[ [ 0, 0, 0 ], [ 6.520300177996176, 4.942314064723051, 3.6514611900485754 ], [ 2.1734333920038247, 2.11427867527695, 1.562063119951425 ], [ 4.3468667850000005, 2.795643598428181, 3.5984199919048954 ], [ 4.346866785, 4.260949141571819, 1.615104318095105 ] ]

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

[ "Tb", "Tb", "Tb", "Si", "Si" ]

2023-11-16 06:57:59

[ 0.4, 0.6 ]

[ [ 0.34844723, 0, 0 ], [ 0, 0.44049704, 0.12735525 ], [ 0, 0.12735525, 0.36221167 ] ]

-27.929702

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, -0.00081248, -0.00060028 ], [ 0, 0.00081248, 0.00060028 ], [ 0, 0.00178336, -0.00241381 ], [ 0, -0.00178336, 0.00241381 ] ]

0.000158

3.744943

pbe

true

f74725b259a34973fafc08bfc0c98fc5_71_Tb3Si2

[ "Ru", "Ti" ]

6

A2B

RuTi2

Ti4 Ru2

2

[ 1, 1, 1 ]

3

[ [ 5.0740096, 0.02787287, -0.0000652 ], [ -1.94114352, 4.68810321, -0.00006522 ], [ -1.56766621, -2.35984431, 4.21781093 ] ]

agm002321833

[ [ 0.7833279443985104, 1.1762445236507326, 4.217713115003833 ], [ -0.7862883616327521, -1.1796288436278861, 4.217778324994757 ], [ 3.319350227978374, 1.1921392650622082, 0.6271546830566894 ], [ -1.7546297735425946, 1.1643109850792277, 3.5905258269419433 ], [ 1.0451735374082718, 2.702927754120746, 2.1088076485156617 ], [ 0.5196249255302017, -0.3465293257406913, 2.1088728614831935 ] ]

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

[ "Ru", "Ru", "Ti", "Ti", "Ti", "Ti" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.6666666666666666 ]

[ [ 6.7627954, -0.20578407, 0.2052467 ], [ -0.20578407, 6.589728, 0.30896267 ], [ 0.20524745, 0.3089638, 6.0155053 ] ]

-51.896466

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

[ [ 0.00017772, -0.00011806, 0 ], [ -0.00007325, 0.00004866, 0 ], [ 0.00211234, 0.00312072, 0.00991222 ], [ -0.00205792, -0.00315687, -0.00991222 ], [ -0.0366114, 0.02432129, 0 ], [ 0.03645251, -0.02421573, 0 ] ]

-0.000033

6.57493

pbe

true

a94f6918c2cafe4b8012802d6ea4645d_140_Ti4Ru2

[ "Mo", "Pb", "Pt" ]

6

A4BC

MoPbPt4

Mo1 Pt4 Pb1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.79443952, 3.79443952 ], [ 3.79443952, 0, 3.79443952 ], [ 3.79443952, 3.79443952, 0 ] ]

agm005461305

[ [ 5.69165928, 5.69165928, 5.69165928 ], [ 2.8520505477042497, 4.736828530240145, 4.736828530240145 ], [ 4.736828530240145, 4.736828530240145, 2.8520505477042497 ], [ 4.736828530240145, 2.8520505477042497, 4.736828530240145 ], [ 2.8520505477042497, 2.8520505477042497, 2.8520505477042497 ], [ 0, 0, 0 ] ]

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

[ "Mo", "Pt", "Pt", "Pt", "Pt", "Pb" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.16666666666666666, 0.6666666666666666 ]

[ [ 7.309532, 0, 0 ], [ 0, 7.309532, 0 ], [ 0, 0, 7.309532 ] ]

-37.394364

[ 2.356, 0.059, 0.059, 0.059, 0.059, 0.046 ]

[ [ 0, 0, 0 ], [ -0.00023643, 0.00023643, 0.00023643 ], [ 0.00023643, 0.00023643, -0.00023643 ], [ 0.00023643, -0.00023643, 0.00023643 ], [ -0.00023643, -0.00023643, -0.00023643 ], [ 0, 0, 0 ] ]

2.961005

6.416915

pbe

true

9e16ed443a90bf2781bbf712e8354473_216_Mo1Pt4Pb1

[ "Mo", "Pb", "Re" ]

3

ABC

MoPbRe

Re1 Mo1 Pb1

3

[ 1, 1, 1 ]

3

[ [ 4.45283067, 0, 0 ], [ 2.22641533, 3.85626448, 0 ], [ 2.22641533, 1.28542149, 3.63572101 ] ]

agm004231325

[ [ 0, 0, 0 ], [ 4.4528306650000005, 2.570842985, 1.817860505 ], [ 6.679245997499999, 3.8562644775, 2.7267907575 ] ]

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

[ "Mo", "Pb", "Re" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 10.107288, 0, 0 ], [ 0, 10.107288, 0 ], [ 0, 0, 10.107288 ] ]

-24.45703

[ 0, 0, 0 ]

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

-0.000016

1.554754

pbe

true

c465f9ae434bfcc923874096547f9853_216_Re1Mo1Pb1

[ "Os", "Ru", "Sc", "Si" ]

5

A2BCD

OsRuScSi2

Sc1 Si2 Os1 Ru1

4

[ 1, 1, 1 ]

3

[ [ 4.13691673, 0, 0 ], [ 0, 4.13691673, 0 ], [ -2.06845836, -2.06845836, 4.66915667 ] ]

agm005018233

[ [ 0, 0, 0 ], [ 2.068458366270297, 2.068458366270297, 1.1862426751705308 ], [ 3.729703557899319e-9, 3.729703557899319e-9, 3.482913994829469 ], [ 2.0684583675000003, 2.4999999848063226e-9, 2.334578335 ], [ 2.4999999848063226e-9, 2.0684583675000003, 2.334578335 ] ]

[{"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}]

[ "Sc", "Si", "Si", "Os", "Ru" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ 7.2040567, 0, 0 ], [ 0, 7.2040567, 0 ], [ 0, 0, 6.888473 ] ]

-41.26222

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, -0.01164026 ], [ 0, 0, 0.01164026 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000001

2.339863

pbe

true

861ee2c032d536439b93f47de0ac5f4f_119_Sc1Si2Os1Ru1

[ "Ce", "S", "Tl" ]

5

A3BC

Ce3STl

Ce3 Tl1 S1

3

[ 1, 1, 1 ]

3

[ [ 5.29489411, 0, 0 ], [ 0, 5.29489411, 0 ], [ 0, 0, 5.29489411 ] ]

agm001110003

[ [ 2.647447055, 2.647447055, 2.647447055 ], [ 0, 0, 0 ], [ 0, 2.647447055, 0 ], [ 0, 0, 2.647447055 ], [ 2.647447055, 0, 0 ] ]

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

[ "Tl", "S", "Ce", "Ce", "Ce" ]

2023-11-16 06:57:59

[ 0.6, 0.2, 0.2 ]

[ [ 2.9248009, 0, 0 ], [ 0, 2.9248009, 0 ], [ 0, 0, 2.9248009 ] ]

-27.900461

[ -0.003, -0.024, 0.593, 0.593, 0.593 ]

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

2.045418

14.556298

pbe

true

07d4f7b80590526594420f6cf8eaa260_221_Ce3Tl1S1

[ "Os", "Si", "U", "V" ]

5

A2BCD

OsSi2UV

U1 V1 Si2 Os1

4

[ 1, 1, 1 ]

3

[ [ 4.05043439, 0, 0 ], [ 0, 4.05043439, 0 ], [ -2.0252172, -2.0252172, 5.05638371 ] ]

agm005019817

[ [ 0, 0, 0 ], [ 2.0252171925000004, -2.4999999848063226e-9, 2.528191855 ], [ 2.025217173582116, 2.025217173582116, 1.1788579896725122 ], [ 1.6417884323163006e-8, 1.6417884323163006e-8, 3.877525720327488 ], [ -2.4999999848063226e-9, 2.0252171925000004, 2.528191855 ] ]

[{"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]

[ "U", "V", "Si", "Si", "Os" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ 4.587525, 0, 0 ], [ 0, 4.587525, 0 ], [ 0, 0, 3.875015 ] ]

-44.729558

[ 1.996, 1.058, -0.029, -0.029, -0.085 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00678023 ], [ 0, 0, -0.00678023 ], [ 0, 0, 0 ] ]

3.303146

3.523727

pbe

true

bbca1c1b1e1fc4178cd119a567a6443b_119_U1V1Si2Os1

[ "Ce", "Se", "Sm" ]

14

A4B2C

Ce2Se4Sm

Ce4 Sm2 Se8

3

[ 1, 1, 1 ]

3

[ [ 4.06562523, 0, 0 ], [ -2.03281262, 6.99521266, 0 ], [ 0, 0, 14.09325398 ] ]

agm003447439

[ [ 1.8998444682080816e-8, 1.8602809025614315, 6.066643132020533 ], [ 2.0328125910015555, 5.134931757438569, 13.113270122020532 ], [ 1.8998444682080816e-8, 1.8602809025614315, 0.9799838579794665 ], [ 2.0328125910015555, 5.134931757438569, 8.026610847979468 ], [ 2.0328125934363004, 1.7286203675769882, 10.569940485 ], [ 1.6563700233478248e-8, 5.266592292423011, 3.523313495 ], [ 2.0328126325440157, 3.8950889333356598, 1.7650674558956996 ], [ 2.0328126325440157, 3.8950889333356598, 5.2815595341043 ], [ -2.2544015623551554e-8, 3.1001237266643407, 12.3281865241043 ], [ -2.2544015623551554e-8, 3.1001237266643407, 8.8116944458957 ], [ 2.0328126306113887, 6.598916724539984, 10.569940485 ], [ -2.0611388401009938e-8, 0.396295935460017, 3.523313495 ], [ 2.032812615, 0, 0 ], [ 2.032812615, 0, 7.04662699 ] ]

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

[ "Ce", "Ce", "Ce", "Ce", "Sm", "Sm", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.2857142857142857, 0.5714285714285714, 0.14285714285714285 ]

[ [ 1.3193195, 0, 0 ], [ 0, 1.3187158, 0 ], [ 0, 0, 1.4029921 ] ]

-86.084916

[ 0.998, 0.998, 0.998, 0.998, 0.045, 0.045, -0.019, -0.019, -0.019, -0.019, -0.013, -0.013, -0.025, -0.025 ]

[ [ 0, -0.00204486, 0.00074416 ], [ 0, 0.00204486, 0.00074416 ], [ 0, -0.00204486, -0.00074416 ], [ 0, 0.00204486, -0.00074416 ], [ 0, 0.00278227, 0 ], [ 0, -0.00278227, 0 ], [ 0, 0.00473726, 0.0024463 ], [ 0, 0.00473726, -0.0024463 ], [ 0, -0.00473726, -0.0024463 ], [ 0, -0.00473726, 0.0024463 ], [ 0, -0.00208641, 0 ], [ 0, 0.00208641, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

4.792042

28.196066

pbe

true

f5940ada5aafd45e582254b8e6793930_63_Ce4Sm2Se8

[ "Ce", "Sm", "Zn" ]

3

ABC

CeSmZn

Ce1 Sm1 Zn1

3

[ 1, 1, 1 ]

3

[ [ 3.62724385, 0, 0 ], [ 0, 3.62724385, 0 ], [ -1.81362193, -1.81362193, 6.16117988 ] ]

agm001837596

[ [ 1.813621941482744, 1.813621941482744, 2.0374718116991914 ], [ -3.1334722113302446e-9, -3.1334722113302446e-9, 3.8611771746358667 ], [ -1.834927169780576e-8, -1.834927169780576e-8, 0.2625308936649412 ] ]

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

[ "Zn", "Ce", "Sm" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 2.8043842, 0, 0 ], [ 0, 2.8043842, 0 ], [ 0, 0, 2.8968573 ] ]

-12.273745

[ -0.003, 0.826, 0.077 ]

[ [ 0, 0, -0.00202333 ], [ 0, 0, 0.00225677 ], [ 0, 0, -0.00023345 ] ]

1.223377

5.630055

pbe

true

c6d3576403e86be83e2c1cc883a2be31_107_Ce1Sm1Zn1

[ "Cl", "Ta", "Te" ]

4

A2BC

ClTaTe2

Ta1 Te2 Cl1

3

[ 1, 1, 1 ]

3

[ [ 3.44305302, 0.00253611, 0 ], [ -0.00204776, 3.44305335, 0 ], [ 0, 0, 7.97954714 ] ]

agm004039419

[ [ 1.72050263, 1.72279473, 1.994886785 ], [ 1.72050263, 1.72279473, 5.984660355 ], [ 0, 0, 7.645062797054151 ], [ 0, 0, 4.32425791294585 ] ]

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

[ "Cl", "Ta", "Te", "Te" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 0.40303764, -0.07373077, 0 ], [ -0.07373077, 0.4028413, 0 ], [ 0, 0, 0.2544543 ] ]

-20.45998

[ 0, 0.002, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00660269 ], [ 0, 0, -0.00660269 ] ]

0.00399

4.31099

pbe

true

1b8e6ef37086a15fdc4b142c8892e872_123_Ta1Te2Cl1

[ "Si", "Tb" ]

5

A3B2

Si3Tb2

Tb2 Si3

2

[ 1, 1, 1 ]

3

[ [ 1.98369605, -3.43586235, 0 ], [ 1.98369605, 3.43586235, 0 ], [ 0, 0, 8.01768157 ] ]

agm005417164

[ [ 0, 0, 1.9885775338944958 ], [ 0, 0, 6.0291040361055055 ], [ 1.98369605, 1.145287472905749, 4.008840785 ], [ 1.98369605, -1.145287472905749, 0 ], [ 1.98369605, -1.145287472905749, 4.008840785 ] ]

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

[ "Tb", "Tb", "Si", "Si", "Si" ]

2023-11-16 06:57:59

[ 0.6, 0.4 ]

[ [ 0.71846396, 0, 0 ], [ 0, 0.71846396, 0 ], [ 0, 0, 1.2038499 ] ]

-27.786121

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, -0.00035282 ], [ 0, 0, 0.00035282 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000441

4.862353

pbe

true

c2aabd30c0af109e7cedb616931943d0_187_Tb2Si3

[ "Co", "Cr" ]

8

A3B

Co3Cr

Cr2 Co6

2

[ 1, 1, 1 ]

3

[ [ 4.46196593, 0, 0 ], [ 0, 4.46196593, 0 ], [ 0, 0, 4.46196593 ] ]

agm005496457

[ [ 0, 0, 0 ], [ 2.230982965, 2.230982965, 2.230982965 ], [ 0, 1.1154914825, 2.230982965 ], [ 0, 3.3464744475, 2.230982965 ], [ 1.1154914825, 2.230982965, 0 ], [ 2.230982965, 0, 1.1154914825 ], [ 2.230982965, 0, 3.3464744475 ], [ 3.3464744475, 2.230982965, 0 ] ]

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

[ "Cr", "Cr", "Co", "Co", "Co", "Co", "Co", "Co" ]

2023-11-16 06:57:59

[ 0.75, 0.25 ]

[ [ 3.7997432, 0, 0 ], [ 0, 3.7997432, 0 ], [ 0, 0, 3.7997432 ] ]

-60.818474

[ -1.163, -1.163, 1.255, 1.255, 1.255, 1.255, 1.255, 1.255 ]

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

5.072731

8.049463

pbe

true

23d308fe52792406310fd9b89659bca9_223_Cr2Co6

[ "Sm", "Tl" ]

4

A3B

Sm3Tl

Sm3 Tl1

2

[ 1, 1, 1 ]

3

[ [ 4.94395269, 0, 0 ], [ 0, 4.94395269, 0 ], [ 0, 0, 4.94395269 ] ]

agm002188788

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2023-11-16 06:57:59

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2023-11-16 06:57:59

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2023-11-16 06:57:59

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2023-11-16 06:57:59

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2023-11-16 06:57:59

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pbe

true

035bb7b4d917ab742c089eaf8d5e25ff_123_Ce1Tm1Tc2

[ "P", "Rb", "S", "Sc" ]

10

A6B2CD

PRb2S6Sc

Rb2 Sc1 P1 S6

4

[ 1, 1, 1 ]

3

[ [ 6.10552137, 0, 0 ], [ 0, 7.22179973, 0 ], [ 0, -3.61089987, 6.25426203 ] ]

agm004965324

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

[ "Rb", "Rb", "Sc", "P", "S", "S", "S", "S", "S", "S" ]

2023-11-16 06:57:59

[ 0.1, 0.2, 0.6, 0.1 ]

[ [ 0.28552693, 0, 0 ], [ 0, 0.46125203, 0 ], [ 0, 0, 0.46125203 ] ]

-45.788174

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

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0.000003

6.339413

pbe

true

c85063b74f1b053cf5403e9674908342_164_Rb2Sc1P1S6

[ "P", "Rb", "S", "Tl" ]

10

A6B2CD

P2RbS6Tl

Rb1 Tl1 P2 S6

4

[ 1, 1, 1 ]

3

[ [ 7.19414611, -4e-8, 0 ], [ -3.59707252, 6.23031364, 0 ], [ 0, 0, 19.06749982 ] ]

agm2000137593

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

[ "Rb", "Tl", "P", "P", "S", "S", "S", "S", "S", "S" ]

2023-11-16 06:57:59

[ 0.2, 0.1, 0.6, 0.1 ]

[ [ 0.20363554, 2e-8, 0 ], [ 2e-8, 0.20363556, 0 ], [ 0, 0, -0.08758008 ] ]

-42.769235

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00175062 ], [ 0, 0, -0.00175062 ], [ -0.00230031, -0.00257349, 0.00123075 ], [ -0.00107855, 0.00327887, 0.00123075 ], [ 0.00337886, -0.00070538, 0.00123075 ], [ 0.00107855, 0.00327887, -0.00123075 ], [ 0.00230031, -0.00257349, -0.00123075 ], [ -0.00337886, -0.00070538, -0.00123075 ] ]

-0.000001

0

pbe

true

afa18fa56927e41acbd77cc9c3438a9e_149_Rb1Tl1P2S6

[ "Cl", "Co", "Hf" ]

8

A2BC

Cl2CoHf

Hf2 Co2 Cl4

3

[ 1, 1, 1 ]

3

[ [ 5.52071479, 0, 0 ], [ 0, 5.52071479, 0 ], [ 2.7603574, 2.7603574, 5.0089402 ] ]

agm002813826

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

[ "Co", "Co", "Hf", "Hf", "Cl", "Cl", "Cl", "Cl" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 0.8220244, 0, 0 ], [ 0, 0.8220244, 0 ], [ 0, 0, 1.1936799 ] ]

-40.771472

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00837796, 0, 0 ], [ -0.00837796, 0, 0 ], [ 0, -0.00837796, 0 ], [ 0, 0.00837796, 0 ] ]

0.000079

7.041029

pbe

true

3e9771592b4ca6502777a22a4f1e646e_122_Hf2Co2Cl4

[ "P", "Rb", "Se", "Sn" ]

72

A11B3C3D

P3Rb3Se11Sn

P12 Rb12 Se44 Sn4

4

[ 1, 1, 1 ]

3

[ [ 7.56291178, 0, 0 ], [ 0, 13.75750952, -4.02450301 ], [ 0, 0.12733374, 22.51405047 ] ]

mp-570167

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

[ "Rb", "Rb", "Rb", "Rb", "Rb", "Rb", "Rb", "Rb", "Rb", "Rb", "Rb", "Rb", "Sn", "Sn", "Sn", "Sn", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se" ]

2014-02-27 10:22:46

[ 0.16666666666666666, 0.16666666666666666, 0.6111111111111112, 0.05555555555555555 ]

[]

-282.707178

[ 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

1.280067

pbe

true

189956507c14b877c0c581bff110ed40_14_Rb12Sn4P12Se44

[ "S", "Tl" ]

6

A2B

STl2

Tl4 S2

2

[ 1, 1, 1 ]

3

[ [ 5.59950873, 1.2e-7, 0 ], [ -0.00000113, 5.59950915, 0 ], [ 0, 0, 18.71240252 ] ]

agm2000040858

[ [ 2.7997544209950878, 6.00000012e-8, 7.733495021542086 ], [ -5.65e-7, 2.799754575, 7.733495021542086 ], [ 5.599508674004901, 1.759950903e-7, 11.445897396855464 ], [ 2.7997537440049243, 2.7997545790049077, 11.445897396855464 ], [ 1.119901633e-7, 5.59950939e-8, 8.889211361602452 ], [ 2.7997537440049127, 2.799754634999999, 8.889211548726477 ] ]

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

[ "Tl", "Tl", "Tl", "Tl", "S", "S" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.6666666666666666 ]

[ [ 1.0627224, -1.9e-7, 0 ], [ -1.9e-7, 1.0627226, 0 ], [ 0, 0, -0.17660676 ] ]

-18.351026

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

[ [ 0, 0, -0.00577284 ], [ 0, 0, -0.00577284 ], [ 0, 0, 0.00229695 ], [ 0, 0, 0.00229695 ], [ 0, 0, 0.0034759 ], [ 0, 0, 0.0034759 ] ]

0

-0.151409

pbe

true

63c75192caa7a1f5953b16de7d7c7a18_99_Tl4S2

[ "P", "Rh", "Se", "Zn" ]

12

ABCD

PRhSeZn

Zn3 P3 Rh3 Se3

4

[ 1, 1, 1 ]

3

[ [ 3.9390566, 0, 0 ], [ -1.9695283, 3.41132308, 0 ], [ 0, 0, 18.23286546 ] ]

agm002126139

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

[ "Zn", "Zn", "Zn", "P", "P", "P", "Rh", "Rh", "Rh", "Se", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 4.122591, 0, 0 ], [ 0, 4.122591, 0 ], [ 0, 0, 4.2831035 ] ]

-55.822351

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

[ [ 0, 0, 0.00207755 ], [ 0, 0, 0.00207755 ], [ 0, 0, 0.00207755 ], [ 0, 0, 0.00098405 ], [ 0, 0, 0.00098405 ], [ 0, 0, 0.00098405 ], [ 0, 0, 0.00064539 ], [ 0, 0, 0.00064539 ], [ 0, 0, 0.00064539 ], [ 0, 0, -0.00370699 ], [ 0, 0, -0.00370699 ], [ 0, 0, -0.00370699 ] ]

-0.000004

3.790886

pbe

true

b8dd34fcd60b3e70e368bc8bf2c04826_160_Zn3P3Rh3Se3

[ "Cl", "Co", "Hg" ]

6

A4BC

ClCo4Hg

Co4 Hg1 Cl1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.54655167, 3.54655167 ], [ 3.54655167, 0, 3.54655167 ], [ 3.54655167, 3.54655167, 0 ] ]

agm005438150

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[{"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": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}]

[ "Co", "Co", "Co", "Co", "Hg", "Cl" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.6666666666666666, 0.16666666666666666 ]

[ [ 3.7759948, 0, 0 ], [ 0, 3.7759948, 0 ], [ 0, 0, 3.7759948 ] ]

-26.811701

[ 2.004, 2.004, 2.004, 2.004, 0.027, 0.27 ]

[ [ 0.00067197, -0.00067197, -0.00067197 ], [ -0.00067197, -0.00067197, 0.00067197 ], [ -0.00067197, 0.00067197, -0.00067197 ], [ 0.00067197, 0.00067197, 0.00067197 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

8.342446

7.768573

pbe

true

741948709d2fddac30028b72bddc4367_216_Co4Hg1Cl1

[ "Mo", "Sc", "W" ]

3

ABC

MoScW

Sc1 Mo1 W1

3

[ 1, 1, 1 ]

3

[ [ 5.59147635, 0.00331749, 0 ], [ 3.71543285, 4.17853773, 0 ], [ -4.65345479, -2.0909277, 2.28866744 ] ]

agm003866772

[ [ 0.16369661998422397, 0.0735534805451184, 0 ], [ -1.5406369014112955, -0.6922513557305134, 2.28866744 ], [ 6.030394784496164, 2.7096254370039476, 0 ] ]

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

[ "Mo", "Sc", "W" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

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4.114645

pbe

true

fdd77da569993468daa9686499321fd8_107_Sc1Mo1W1

[ "Mn", "P" ]

5

A4B

MnP4

Mn1 P4

2

[ 1, 1, 1 ]

3

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agm006186542

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[ "P", "P", "P", "P", "Mn" ]

2023-11-16 06:57:59

[ 0.2, 0.8 ]

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0.000047

3.456163

pbe

true

37968f34145a7a2305f378f85e6bf20f_221_Mn1P4

[ "Mo", "Pd" ]

4

A3B

MoPd3

Mo1 Pd3

2

[ 1, 1, 1 ]

3

[ [ 3.95585057, 0, 0 ], [ 0, 3.95585057, 0 ], [ 0, 0, 3.95585057 ] ]

agm001191267

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

[ "Mo", "Pd", "Pd", "Pd" ]

2023-11-16 06:57:59

[ 0.25, 0.75 ]

[ [ 6.5596666, 0, 0 ], [ 0, 6.5596666, 0 ], [ 0, 0, 6.5596666 ] ]

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[ 1.668, 0.108, 0.108, 0.108 ]

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2.14705

3.110872

pbe

true

f34018a79dd9255e2a54a8fc0b4de8b7_221_Mo1Pd3

[ "Mo", "Pm" ]

4

AB

MoPm

Mo1 Pm1

2

[ 1, 1, 1 ]

3

[ [ 5.119477401, 0, 0 ], [ -2.5597387, 4.433597483, 0 ], [ 0, 0, 4.765470986 ] ]

oqmd-5416647

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

[ "Mo", "Mo", "Pm", "Pm" ]

2024-11-01 00:00:00

[ 0.5, 0.5 ]

[ [ 8.89366043, 0, 0 ], [ 0, 8.89366043, 0 ], [ 0, 0, -11.65682258 ] ]

-28.7989

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-0.000948

null

pbe

true

65d78ce47e38160621c46e7ff016d187_194_Pm2Mo2

[ "Mo", "Sc" ]

4

A3B

Mo3Sc

Sc1 Mo3

2

[ 1, 1, 1 ]

3

[ [ 2.79971421, 0.00260788, 0 ], [ -0.9300917, 2.64070746, 0 ], [ 0, 0, 9.16161854 ] ]

agm003997913

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

[ "Mo", "Mo", "Mo", "Sc" ]

2023-11-16 06:57:59

[ 0.75, 0.25 ]

[ [ 8.663221, 0.22618745, 0 ], [ 0.22618745, 8.823028, 0 ], [ 0, 0, 8.7763405 ] ]

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-0.00001

3.553306

pbe

true

b563bc3f52aafe5f8bd47862fd5d2ac3_65_Sc1Mo3

[ "Co", "Cr", "Pb" ]

4

A2BC

CoCrPb2

Cr1 Co1 Pb2

3

[ 1, 1, 1 ]

3

[ [ 0, 3.39091853, 3.39091853 ], [ 3.39091853, 0, 3.39091853 ], [ 3.39091853, 3.39091853, 0 ] ]

agm002665649

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

[ "Pb", "Pb", "Cr", "Co" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 5.7034016, 0, 0 ], [ 0, 5.7034016, 0 ], [ 0, 0, 5.7034016 ] ]

-21.620198

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3.572435

5.179023

pbe

true

50379390762fdd900a92e3393865dfc7_225_Cr1Co1Pb2

[ "Ac", "Pb", "Tb" ]

10

A5B4C

Ac5Pb4Tb

Ac5 Tb1 Pb4

3

[ 1, 1, 1 ]

3

[ [ 5.67853901, 0, 0 ], [ 0, 7.24254892, -2.85865841 ], [ -2.8392695, -3.7779184, 11.08210644 ] ]

agm003650731

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

[ "Ac", "Ac", "Ac", "Ac", "Ac", "Tb", "Pb", "Pb", "Pb", "Pb" ]

2023-11-16 06:57:59

[ 0.5, 0.4, 0.1 ]

[ [ 1.908904, 0, 0 ], [ 0, 1.792584, -0.03114064 ], [ 0, -0.03114049, 1.8414791 ] ]

-43.447997

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-0

7.175873

pbe

true

7367dd30c5df6939e4806f572e68c7de_12_Ac5Tb1Pb4

[ "Mo", "W" ]

4

AB

MoW

Mo2 W2

2

[ 1, 1, 1 ]

3

[ [ 2.65576873, 0, 0 ], [ 0, 2.65576873, 0 ], [ 0, 0, 9.28043611 ] ]

agm003904917

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

[ "Mo", "Mo", "W", "W" ]

2023-11-16 06:57:59

[ 0.5, 0.5 ]

[ [ 11.345729, 0, 0 ], [ 0, 11.345729, 0 ], [ 0, 0, 9.600347 ] ]

-46.226667

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-0.000002

2.025763

pbe

true

1425107ba945f1804faef749274acfc6_129_Mo2W2

[ "Mo", "W" ]

5

A4B

Mo4W

Mo4 W1

2

[ 1, 1, 1 ]

3

[ [ 4.68314092, 0, 0 ], [ 0, 4.68314092, 0 ], [ 0, 0, 4.68314092 ] ]

agm006185627

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

[ "Mo", "Mo", "Mo", "Mo", "W" ]

2023-11-16 06:57:59

[ 0.8, 0.2 ]

[ [ 7.657817, 0, 0 ], [ 0, 7.657817, 0 ], [ 0, 0, 7.657817 ] ]

-46.17893

[ 1.181, -0.379, -0.379, -0.379, 0.001 ]

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0.082014

6.64717

pbe

true

1a7787a80945b2c4ab7f682363680a36_221_Mo4W1

[ "N", "Sb" ]

4

AB

NSb

Sb2 N2

2

[ 1, 1, 1 ]

3

[ [ 3.2707886, 0.00105018, 0 ], [ -0.00181967, 5.66466786, 0 ], [ 0, 0, 16.01605557 ] ]

agm2000011467

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

[ "Sb", "Sb", "N", "N" ]

2023-11-16 06:57:59

[ 0.5, 0.5 ]

[ [ 0.14961758, 0.00049499, 0.00301722 ], [ 0.00049491, 0.15456599, 0.00042825 ], [ 0.00301724, 0.0004283, -0.2579042 ] ]

-22.143225

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[ [ -0.00088042, 0.00040113, -0.00011637 ], [ 0.0008428, -0.00044804, 0.00037598 ], [ 0.00109961, 0.00037215, -0.00078111 ], [ -0.00106199, -0.00032524, 0.0005215 ] ]

0.0003

0

pbe

true

d346a19c0c03b062aa1bf23acfaf465b_156_Sb2N2

[ "Pa", "Rb", "Se", "Sn" ]

18

A5B2CD

PaRb2Se5Sn

Rb4 Pa2 Sn2 Se10

4

[ 1, 1, 1 ]

3

[ [ 4.48358884, -0.00025105, -5.3e-7 ], [ -2.24234179, 9.77053573, 0.00014615 ], [ -0.00000177, 0.00025294, 14.91576372 ] ]

agm005155051

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

2023-11-16 06:57:59

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0.000003

5.10781

pbe

true

55d979652f794d0f1bb3733d63041e03_36_Rb4Pa2Sn2Se10

[ "Pa", "Re", "Rh", "Si" ]

5

A2BCD

PaReRhSi2

Pa1 Re1 Si2 Rh1

4

[ 1, 1, 1 ]

3

[ [ 4.18822737, 0, 0 ], [ 0, 4.18822737, 0 ], [ -2.09411369, -2.09411368, 4.83429601 ] ]

agm005019533

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[{"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]

[ "Pa", "Re", "Si", "Si", "Rh" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ 5.020736, 0, 0 ], [ 0, 5.020736, 0 ], [ 0, 0, 4.9536943 ] ]

-43.792619

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3.217013

pbe

true

205cd328cd4b9ac4cb152a89d81ba806_119_Pa1Re1Si2Rh1

[ "Pa", "Re", "Ru", "Si" ]

5

A2BCD

PaReRuSi2

Pa1 Re1 Si2 Ru1

4

[ 1, 1, 1 ]

3

[ [ 4.20390329, 0, 0 ], [ 0, 4.20390329, 0 ], [ -2.10195164, -2.10195164, 4.79198063 ] ]

agm005018340

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[{"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]

[ "Pa", "Re", "Si", "Si", "Ru" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ 5.291244, 0, 0 ], [ 0, 5.291244, 0 ], [ 0, 0, 5.3712277 ] ]

-45.214396

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0.000001

5.590721

pbe

true

ed01c3419aa1d67e98bf37690bbe6149_119_Pa1Re1Si2Ru1

[ "Cl", "Cr", "Zr" ]

10

A2B2C

Cl2Cr2Zr

Zr2 Cr4 Cl4

3

[ 1, 1, 1 ]

3

[ [ 6.70802595, 0, 0 ], [ 0, 6.70802595, 0 ], [ 0, 0, 4.24738948 ] ]

agm002968332

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

[ "Cr", "Cr", "Cr", "Cr", "Zr", "Zr", "Cl", "Cl", "Cl", "Cl" ]

2023-11-16 06:57:59

[ 0.4, 0.4, 0.2 ]

[ [ 2.4341552, 0, 0 ], [ 0, 2.4341552, 0 ], [ 0, 0, 3.1838355 ] ]

-61.06906

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

[ [ 0.0057077, 0.0057077, 0 ], [ 0.0057077, -0.0057077, 0 ], [ -0.0057077, -0.0057077, 0 ], [ -0.0057077, 0.0057077, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00218971, 0.00218971, 0 ], [ 0.00218971, -0.00218971, 0 ], [ -0.00218971, -0.00218971, 0 ], [ -0.00218971, 0.00218971, 0 ] ]

-0.001042

6.703366

pbe

true

37d72023043b57990000a9037b5204bc_127_Zr2Cr4Cl4

[ "Pa", "Ru", "Si", "Ti" ]

5

A2BCD

PaRuSi2Ti

Pa1 Ti1 Si2 Ru1

4

[ 1, 1, 1 ]

3

[ [ 3.98313291, 0, 0 ], [ 0, 3.98313291, 0 ], [ -1.99156645, -1.99156645, 5.41118657 ] ]

agm005017437

[ [ 0, 0, 0 ], [ 2.4999999848063226e-9, 1.9915664575, 2.705593285 ], [ 1.9915664760027878, 1.9915664760027878, 1.1765254542906818 ], [ -1.600278800548564e-8, -1.600278800548564e-8, 4.234661115709318 ], [ 1.9915664575, 2.4999999848063226e-9, 2.705593285 ] ]

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

[ "Pa", "Ti", "Si", "Si", "Ru" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.4, 0.2 ]

[ [ 3.7833445, 0, 0 ], [ 0, 3.7833445, 0 ], [ 0, 0, 3.9450967 ] ]

-41.137483

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00793514 ], [ 0, 0, -0.00793514 ], [ 0, 0, 0 ] ]

0.000052

5.101403

pbe

true

35556ae9979b39e5472743b5ab93fc5d_119_Pa1Ti1Si2Ru1

[ "Co", "Cr", "Re" ]

4

A2BC

CoCrRe2

Cr1 Co1 Re2

3

[ 1, 1, 1 ]

3

[ [ 3.84800441, 0, 0 ], [ 0, 2.60141314, 0.0028817 ], [ 0, 2.07614916, 5.2843676 ] ]

agm004019056

[ [ 1.924002205, 1.169390575, 1.321812325 ], [ 1.924002205, 3.508171725, 3.9654369750000003 ], [ 0, 2.420847397165046, 0.025899272301658 ], [ 0, 2.5193468928349545, 2.620607077698342 ] ]

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

[ "Co", "Cr", "Re", "Re" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 7.951715, 0, 0 ], [ 0, 8.459451, 0.13587989 ], [ 0, 0.13588005, 8.372841 ] ]

-41.0764

[ 0.01, -0.001, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00209211, 0.00524362 ], [ 0, -0.00209211, -0.00524362 ] ]

0.010675

4.433622

pbe

true

7b0ff0727342bce9df8e23ef6120e5f6_10_Cr1Co1Re2

[ "Bi", "K", "Tl" ]

13

A8B4C

Bi4KTl8

K1 Tl8 Bi4

3

[ 1, 1, 1 ]

3

[ [ 6.49423328, 0, 0 ], [ 3.24711664, 8.34583646, 0 ], [ 3.24711664, 0, 8.34583646 ] ]

agm003672381

[ [ 0, 0, 0 ], [ 3.2471166400000007, 2.984496072147015, 5.361340387852985 ], [ 9.741349920000001, 5.361340387852985, 2.984496072147015 ], [ 6.494233280000001, 5.361340387852985, 5.361340387852985 ], [ 6.49423328, 2.984496072147015, 2.984496072147015 ], [ 6.49423328, 6.644360765896047, 1.701475694103952 ], [ 6.49423328, 1.701475694103952, 6.644360765896047 ], [ 3.24711664, 1.701475694103952, 1.701475694103952 ], [ 9.741349920000001, 6.644360765896047, 6.644360765896047 ], [ 1.62355832, 0, 4.17291823 ], [ 4.8706749600000006, 0, 4.17291823 ], [ 1.62355832, 4.17291823, 0 ], [ 4.8706749600000006, 4.17291823, 0 ] ]

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

[ "K", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Bi", "Bi", "Bi", "Bi" ]

2023-11-16 06:57:59

[ 0.3076923076923077, 0.07692307692307693, 0.6153846153846154 ]

[ [ 3.6299112, 0, 0 ], [ 0, 3.5970688, 0 ], [ 0, 0, 3.5970688 ] ]

-36.023429

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

[ [ 0, 0, 0 ], [ 0, 0.00206464, -0.00206464 ], [ 0, -0.00206464, 0.00206464 ], [ 0, -0.00206464, -0.00206464 ], [ 0, 0.00206464, 0.00206464 ], [ 0, -0.00078906, 0.00078906 ], [ 0, 0.00078906, -0.00078906 ], [ 0, 0.00078906, 0.00078906 ], [ 0, -0.00078906, -0.00078906 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000004

7.959953

pbe

true

57228484e01591b523f5030fe9e36b42_139_K1Tl8Bi4

[ "Pa", "Si", "V", "W" ]

5

A2BCD

PaSi2VW

Pa1 V1 Si2 W1

4

[ 1, 1, 1 ]

3

[ [ 3.89955189, 0, 0 ], [ 0, 3.89955189, 0 ], [ -1.94977595, -1.94977594, 5.61421989 ] ]

agm005019185

[ [ 0, 0, 0 ], [ 1.9497759425, 2.4999999848063226e-9, 2.807109945 ], [ 1.949775943941477, 1.9497759460585227, 1.1885560638400963 ], [ -3.941476980750475e-9, 3.9414771713410996e-9, 4.425663826159904 ], [ -2.4999999848063226e-9, 1.9497759475, 2.807109945 ] ]

[{"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]

[ "Pa", "V", "Si", "Si", "W" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ 3.1027644, 0, 0 ], [ 0, 3.1027644, 0 ], [ 0, 0, 3.1724844 ] ]

-44.555781

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00586288 ], [ 0, 0, -0.00586288 ], [ 0, 0, 0 ] ]

0.000244

5.735495

pbe

true

e087056ee10bc57f431db0b4f56257ef_119_Pa1V1Si2W1

[ "Pb", "Pd", "Rb", "Sb" ]

10

A2BCD

PbPd2RbSb

Rb2 Sb2 Pd4 Pb2

4

[ 1, 1, 1 ]

3

[ [ 4.67479329, 0, 0 ], [ 0, 7.55015227, -0.5916108 ], [ 0, -3.56248514, 9.47428881 ] ]

agm004998921

[ [ 1.1686983225, 6.390312296601191, 1.46679262094252 ], [ 3.5060949675, -2.402645166601191, 7.415885389057479 ], [ 1.1686983225, 2.3207101718981504, 0.9343896711933874 ], [ 3.5060949675, 1.6669569581018489, 7.948288338806611 ], [ 3.5060949675, 1.7065942401764342, 5.279464137219085 ], [ 1.1686983225, 2.281072889823566, 3.603213872780914 ], [ 3.5060949675, 3.4651061653206603, 0.4964531878635672 ], [ 1.1686983225, 0.5225609646793394, 8.386224822136432 ], [ 1.1686983225, 0.25667501328759557, 5.556607127819266 ], [ 3.5060949675, 3.730992116712404, 3.3260708821807334 ] ]

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

[ "Rb", "Rb", "Sb", "Sb", "Pd", "Pd", "Pd", "Pd", "Pb", "Pb" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ 2.6076758, 0, 0 ], [ 0, 2.6846943, 0.00689799 ], [ 0, 0.00689794, 2.7503128 ] ]

-41.544004

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

[ [ 0, -0.00044351, 0.00170891 ], [ 0, 0.00044351, -0.00170891 ], [ 0, 0.00548997, -0.00320864 ], [ 0, -0.00548997, 0.00320864 ], [ 0, -0.00083023, -0.00217909 ], [ 0, 0.00083023, 0.00217909 ], [ 0, 0.00174173, -0.00252463 ], [ 0, -0.00174173, 0.00252463 ], [ 0, 0.00082084, 0.00003511 ], [ 0, -0.00082084, -0.00003511 ] ]

0

3.391751

pbe

true

fc39ef9407b89d8ca770d2ea87be5cb8_11_Rb2Sb2Pd4Pb2

[ "Pb", "Pd", "S", "Sc" ]

12

A3BCD

PbPdS3Sc

Pb1 Pd1 S3 Sc1

4

[ 1, 1, 1 ]

3

[ [ 1.902861094, -6.414955682, 0 ], [ 1.902861094, 6.414955682, 0 ], [ 0, 0, 10.168191063 ] ]

oqmd-4872943

[ [ 1.90286, -3.49427, 2.542050000000003 ], [ 1.90286, 3.49427, 7.626139999999997 ], [ 1.90286, 5.085669999999997, 2.542050000000003 ], [ 1.90286, -5.085669999999997, 7.626139999999997 ], [ 1.90286, 4.679560000000003, 0.19381000000000043 ], [ 1.90286, 0.4897100000000015, 2.542050000000003 ], [ 1.90286, 4.679560000000003, 4.890290000000001 ], [ 1.90286, -4.679560000000002, 5.277899999999999 ], [ 1.90286, -0.48971000000000153, 7.626139999999997 ], [ 1.90286, -4.679560000000002, 9.974389999999996 ], [ 1.90286, -6.3553180651536666e-15, 0 ], [ 1.90286, -6.3553180651536666e-15, 5.084099999999995 ] ]

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

[ "Pb", "Pb", "Pd", "Pd", "S", "S", "S", "S", "S", "S", "Sc", "Sc" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.16666666666666666, 0.5, 0.16666666666666666 ]

[ [ 3.06287904, 0, 0 ], [ 0, 3.40502896, 0 ], [ 0, 0, 2.64321666 ] ]

-66.8062

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

[ [ 0, -0.037145, 0 ], [ 0, 0.037145, 0 ], [ 0, -0.060612, 0 ], [ 0, 0.060612, 0 ], [ 0, 0.027149, 0.017535 ], [ 0, -0.066348, 0 ], [ 0, 0.027149, -0.017535 ], [ 0, -0.027149, 0.017535 ], [ 0, 0.066348, 0 ], [ 0, -0.027149, -0.017535 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.004194

null

pbe

true

e699565687cee58d82f2ec588a4154b2_63_Sc2Pd2Pb2S6

[ "Pb", "Pd", "S", "Si" ]

20

A6B2CD

PbPdS6Si2

Si4 Pd2 Pb2 S12

4

[ 1, 1, 1 ]

3

[ [ 6.00318632, -0.39863842, -0.41369668 ], [ 1.40841326, 8.69431317, -0.11223987 ], [ 1.40841326, -0.43438523, 8.68418037 ] ]

agm004977092

[ [ 3.3552935161909323, 6.3549143443849125, 5.370613353284042 ], [ 2.4631261638090676, 2.929206346634398, 1.8155018150133548 ], [ 5.464719323809067, 1.506375175615086, 2.7876304667159584 ], [ 6.356886676190932, 4.932083173365601, 6.342742004986645 ], [ 2.90920984, 2.9227707826999914, 5.249766223873248 ], [ 5.910803, 4.938518737300007, 2.908477596126751 ], [ 2.90920984, 7.655703946541039, 0.6891084769836561 ], [ 5.9108030000000005, 0.2055855734589599, 7.469135343016344 ], [ 3.7359820084169746, 8.006352692242123, 6.616686141093013 ], [ 2.0824376715830253, 1.7451940542247557, 0.1190169493070184 ], [ 5.084030831583026, -0.14506317224212398, 1.5415576789069863 ], [ 6.737575168416975, 6.116095465775243, 8.039226870692982 ], [ 4.204430637386546, 6.470834430395616, 3.4690198935717196 ], [ 1.6139890426134542, 4.833789550884199, 1.770136874015003 ], [ 4.615582202613454, 1.3904550896043841, 4.68922392642828 ], [ 7.206023797386546, 3.0274999691157993, 6.3881069459849975 ], [ 7.115680278967927, 6.071665225021523, 4.611238420883233 ], [ 4.705925721032073, 3.278923590468901, 1.7130030719355807 ], [ 1.7043325610320728, 1.789624294978477, 3.547005399116767 ], [ 4.114087118967928, 4.582365929531099, 6.445240748064419 ] ]

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

[ "Si", "Si", "Si", "Si", "Pd", "Pd", "Pb", "Pb", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S" ]

2023-11-16 06:57:59

[ 0.1, 0.1, 0.6, 0.2 ]

[ [ 1.3754836, 0.03717818, 0.03858255 ], [ 0.0371782, 1.4325101, 0.0459584 ], [ 0.03858257, 0.0459584, 1.435919 ] ]

-97.472208

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

[ [ 0.0020269, 0.00099849, -0.00054276 ], [ -0.0020269, 0.00057939, -0.00097769 ], [ -0.0020269, -0.00099849, 0.00054276 ], [ 0.0020269, -0.00057939, 0.00097769 ], [ 0, 0.00448731, -0.00432398 ], [ 0, -0.00448731, 0.00432398 ], [ 0, 0.00003329, -0.00003207 ], [ 0, -0.00003329, 0.00003207 ], [ -0.00010501, -0.00367362, -0.00346706 ], [ 0.00010501, 0.00332853, 0.00379959 ], [ 0.00010501, 0.00367362, 0.00346706 ], [ -0.00010501, -0.00332853, -0.00379959 ], [ -0.00301788, -0.0038748, 0.00643016 ], [ 0.00301788, -0.00656935, 0.00363383 ], [ 0.00301788, 0.0038748, -0.00643016 ], [ -0.00301788, 0.00656935, -0.00363383 ], [ 0.0018006, -0.00693331, 0.00605681 ], [ -0.0018006, -0.0063096, 0.00670408 ], [ -0.0018006, 0.00693331, -0.00605681 ], [ 0.0018006, 0.0063096, -0.00670408 ] ]

-0

-0.126345

pbe

true

101fbf59d5d92f9749e5f21c69d46845_15_Si4Pd2Pb2S12

[ "Bi", "K", "Zn" ]

4

A2BC

Bi2KZn

K1 Zn1 Bi2

3

[ 1, 1, 1 ]

3

[ [ 5.14277192, 0, 0 ], [ 2.57138596, 4.45377112, 0 ], [ 2.57138596, 1.48459037, 6.3714888 ] ]

agm001956448

[ [ 5.14277192, 2.969180745, 3.1857444 ], [ 0, 0, 0 ], [ 2.5713885570998194, 1.4845918724029727, 0.7008082086176639 ], [ 7.714155282900181, 4.453769617597027, 5.670680591382336 ] ]

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

[ "K", "Zn", "Bi", "Bi" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 0.81904435, 0, 0 ], [ 0, 0.81904435, 0 ], [ 0, 0, 0.7176327 ] ]

-10.227428

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00252735 ], [ 0, 0, -0.00252735 ] ]

-0.000009

1.494422

pbe

true

9491a8437cd3161629f2ce7dc2eb23e2_166_K1Zn1Bi2

[ "Pb", "Pd", "S", "U" ]

20

A12B4C3D

PbPd4S12U3

U3 Pd4 Pb1 S12

4

[ 1, 1, 1 ]

3

[ [ 8.38456571, -0.1291527, -0.17942837 ], [ -2.14555299, 8.10643108, -0.17942837 ], [ -2.14555299, -2.74333044, 7.63023968 ] ]

agm004708712

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2023-11-16 06:57:59

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14.876901

pbe

true

409b0579cf1c161f30649778722bfa63_155_U3Pd4Pb1S12

[ "Co", "Cr", "Sc" ]

4

A2BC

CoCr2Sc

Sc1 Cr2 Co1

3

[ 1, 1, 1 ]

3

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

[ "Co", "Cr", "Cr", "Sc" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

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pbe

true

1f4bf62b2666bdb9ddaed9ca2c6f4f7f_216_Sc1Cr2Co1

[ "Cl", "Cs", "F" ]

5

A3BC

ClCs3F

Cs3 Cl1 F1

3

[ 1, 1, 1 ]

3

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agm002468258

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

[ "Cs", "Cs", "Cs", "F", "Cl" ]

2023-11-16 06:57:59

[ 0.2, 0.6, 0.2 ]

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-13.057051

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0

1.710717

pbe

true

4c092a448218d10064c5df1ae1920c90_221_Cs3Cl1F1

[ "Bi", "La", "O" ]

14

A3B3C

BiLa3O3

La6 Bi2 O6

3

[ 1, 1, 1 ]

3

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agm005960171

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[ "La", "La", "La", "La", "La", "La", "Bi", "Bi", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.14285714285714285, 0.42857142857142855, 0.42857142857142855 ]

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0

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pbe

true

383e5b77b3d754f6b3179dc616907f60_176_La6Bi2O6

[ "Pb", "Pd", "Se", "Ta" ]

20

A12B4C3D

PbPd4Se12Ta3

Ta3 Pd4 Pb1 Se12

4

[ 1, 1, 1 ]

3

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agm004708543

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

[ "Ta", "Ta", "Ta", "Pd", "Pd", "Pd", "Pd", "Pb", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.05, 0.2, 0.6, 0.15 ]

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0.000009

11.756257

pbe

true

e098d47b41af66b55a9aed959d4da7ec_155_Ta3Pd4Pb1Se12

[ "Ac", "Pb", "Tl" ]

10

A5B4C

Ac5Pb4Tl

Ac5 Tl1 Pb4

3

[ 1, 1, 1 ]

3

[ [ 6.92689079, 0, 0 ], [ 3.46344539, 7.61209139, 0.00000179 ], [ 3.46344539, -0.00000179, 7.61209139 ] ]

agm003648208

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[ "Ac", "Ac", "Ac", "Ac", "Ac", "Tl", "Pb", "Pb", "Pb", "Pb" ]

2023-11-16 06:57:59

[ 0.5, 0.4, 0.1 ]

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0

8.686677

pbe

true

d999cfde101d39fde345bb84ec976304_79_Ac5Tl1Pb4

[ "Ac", "Pm", "U" ]

3

ABC

AcPmU

Ac1 Pm1 U1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.856506979, 3.856506979 ], [ 3.856506979, 0, 3.856506979 ], [ 3.856506979, 3.856506979, 0 ] ]

oqmd-6946457

[ [ 3.856510000000001, 3.856510000000001, 3.856510000000001 ], [ 1.92825, 1.92825, 1.92825 ], [ 0, 0, 0 ] ]

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

[ "Ac", "Pm", "U" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

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-16.2836

[ 0.098, 0.25, 2.731 ]

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3.71442

null

pbe

true

a52ec357952736ea403bacedd7be0d54_216_Ac1Pm1U1

[ "Pb", "Pd", "Sr", "Zn" ]

11

A4B3C2D2

Pb2Pd4Sr3Zn2

Sr3 Zn2 Pd4 Pb2

4

[ 1, 1, 1 ]

3

[ [ 4.57965851, 0, 0 ], [ -2.28982926, 3.96610061, 0 ], [ 0, 0, 15.58845246 ] ]

agm004488508

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

[ "Sr", "Sr", "Sr", "Zn", "Zn", "Pd", "Pd", "Pd", "Pd", "Pb", "Pb" ]

2023-11-16 06:57:59

[ 0.18181818181818182, 0.36363636363636365, 0.2727272727272727, 0.18181818181818182 ]

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-40.849851

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-0

3.983099

pbe

true

bff2788d6cb8b5600688ffe527eaa480_164_Sr3Zn2Pd4Pb2

[ "Bi", "La", "Sn" ]

10

A2B2C

BiLa2Sn2

La4 Sn4 Bi2

3

[ 1, 1, 1 ]

3

[ [ 8.43261379, 0, 0 ], [ 0, 8.43261379, 0 ], [ 0, 0, 4.53274828 ] ]

agm003020246

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

[ "Bi", "Bi", "Sn", "Sn", "Sn", "Sn", "La", "La", "La", "La" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.4 ]

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-48.602005

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[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00090219, 0.00090219, 0 ], [ 0.00090219, -0.00090219, 0 ], [ -0.00090219, -0.00090219, 0 ], [ -0.00090219, 0.00090219, 0 ], [ -0.02393455, -0.02393455, 0 ], [ -0.02393455, 0.02393455, 0 ], [ 0.02393455, 0.02393455, 0 ], [ 0.02393455, -0.02393455, 0 ] ]

0

11.513256

pbe

true

5158d7e187cd077ec4d2f0b26eee8400_127_La4Sn4Bi2

[ "Bi", "La", "Y" ]

4

A2BC

BiLaY2

La1 Y2 Bi1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.91653801, 3.91653801 ], [ 3.91653801, 0, 3.91653801 ], [ 3.91653801, 3.91653801, 0 ] ]

agm002749941

[ [ 1.958269005, 1.958269005, 1.958269005 ], [ 5.874807015, 5.874807015, 5.874807015 ], [ 3.91653801, 3.91653801, 3.91653801 ], [ 0, 0, 0 ] ]

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

[ "Y", "Y", "Bi", "La" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 1.2744908, 0, 0 ], [ 0, 1.2744908, 0 ], [ 0, 0, 1.2744908 ] ]

-22.519515

[ 0, 0, 0, 0 ]

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

-0.000002

3.280631

pbe

true

084cced4af4048cc19dbf96704fb83c5_225_La1Y2Bi1

[ "Pb", "Pr", "S", "Sn" ]

40

A12B3C3D2

Pb3Pr2S12Sn3

Pb6 Pr4 S24 Sn6

4

[ 1, 1, 1 ]

3

[ [ -4.00415463, 0, 0 ], [ 0, 0, -11.75165577 ], [ 0, -20.62069449, 0 ] ]

mp-1210183

[ [ -2.002077315, -8.503650250358618, -7.659179723462194 ], [ -2.002077315, -12.117044239641382, -1.783351838462195 ], [ -2.002077315, -18.451419493795104, -9.686909123926462 ], [ -2.002077315, -2.1692749962048956, -3.8110812389264628 ], [ 0, -15.463567881524853, -0.014424922424559599 ], [ 0, -5.157126608475148, -5.890252807424559 ], [ 0, -18.790541249169298, -6.0870441546840555 ], [ 0, -1.8301532408307029, -0.2112162696840564 ], [ 0, -8.731934948021282, -11.691523017491141 ], [ 0, -11.888759541978722, -5.815695132491141 ], [ -2.002077315, -15.322335095307285, -4.742766962908659 ], [ -2.002077315, -5.298359394692718, -10.61859484790866 ], [ -2.002077315, -18.81507059629988, -2.3204947576489894 ], [ -2.002077315, -1.8056238937001234, -8.196322642648989 ], [ -2.002077315, -12.85217777200434, -9.046560578403259 ], [ -2.002077315, -7.768516717995661, -3.170732693403259 ], [ 0, -18.033872288308764, -11.725965005254972 ], [ 0, -2.5868222016912363, -5.8501371202549715 ], [ 0, -12.938098019735824, -11.520388355174937 ], [ 0, -7.682596470264177, -5.644560470174938 ], [ 0, -10.598571352578418, -8.036646902357555 ], [ 0, -10.022123137421584, -2.1608190173575568 ], [ -2.002077315, -5.297297222719537, -7.572164588313229 ], [ -2.002077315, -15.323397267280464, -1.6963367033132297 ], [ -2.002077315, -15.583148526114034, -10.005001767143245 ], [ -2.002077315, -5.037545963885969, -4.129173882143245 ], [ -2.002077315, -17.332858788083687, -7.015166541603674 ], [ -2.002077315, -3.287835701916315, -1.139338656603674 ], [ -2.002077315, -20.226350720988535, -5.183226542227953 ], [ -2.002077315, -0.3943437690114681, -11.059054427227952 ], [ -2.002077315, -10.049070260981116, -10.984701583654603 ], [ -2.002077315, -10.571624229018884, -5.108873698654605 ], [ 0, -17.37568858916025, -3.9714107238283805 ], [ 0, -3.2450059008397507, -9.847238608828379 ], [ 0, -20.044086052046982, -8.325707667577342 ], [ 0, -0.576608437953019, -2.449879782577343 ], [ 0, -7.3601215953448165, -9.51102620509639 ], [ 0, -13.260572894655184, -3.635198320096392 ], [ 0, -13.980808800076897, -7.075406821762828 ], [ 0, -6.639885689923105, -1.199578936762829 ] ]

[{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]

[ "Pr", "Pr", "Pr", "Pr", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S" ]

2019-01-12 12:46:22

[ 0.15, 0.1, 0.6, 0.15 ]

[ [ 2.65910482, 0, 0 ], [ 0, 3.48309202, 0 ], [ 0, 0, 2.31849149 ] ]

-198.106808

[ 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, -0.04279766, 0.02688778 ], [ 0, 0.04279766, 0.02688778 ], [ 0, 0.0502113, 0.00327396 ], [ 0, -0.0502113, 0.00327396 ], [ 0, 0.04635114, -0.07186023 ], [ 0, -0.04635114, -0.07186023 ], [ 0, 0.02519195, -0.00154131 ], [ 0, -0.02519195, -0.00154131 ], [ 0, -0.11544046, 0.0304231 ], [ 0, 0.11544046, 0.0304231 ], [ 0, 0.02394572, 0.03165277 ], [ 0, -0.02394572, 0.03165277 ], [ 0, -0.04053152, -0.11249619 ], [ 0, 0.04053152, -0.11249619 ], [ 0, -0.03080434, -0.06162688 ], [ 0, 0.03080434, -0.06162688 ], [ 0, 0.0386403, -0.05144657 ], [ 0, -0.0386403, -0.05144657 ], [ 0, 0.01206893, 0.05549346 ], [ 0, -0.01206893, 0.05549346 ], [ 0, 0.01412184, 0.02851871 ], [ 0, -0.01412184, 0.02851871 ], [ 0, -0.06590842, -0.06422818 ], [ 0, 0.06590842, -0.06422818 ], [ 0, 0.03532229, -0.04109959 ], [ 0, -0.03532229, -0.04109959 ], [ 0, -0.03835585, 0.00245525 ], [ 0, 0.03835585, 0.00245525 ], [ 0, 0.02976873, 0.16633969 ], [ 0, -0.02976873, 0.16633969 ], [ 0, -0.04674023, 0.05480465 ], [ 0, 0.04674023, 0.05480465 ], [ 0, -0.01267412, -0.00408612 ], [ 0, 0.01267412, -0.00408612 ], [ 0, -0.00601314, 0.03785383 ], [ 0, 0.00601314, 0.03785383 ], [ 0, -0.05589994, -0.00765093 ], [ 0, 0.05589994, -0.00765093 ], [ 0, 0.01002519, -0.0216672 ], [ 0, -0.01002519, -0.0216672 ] ]

0

5.22737

pbe

true

9762b354ff884de1c6a5b5425d9835c7_26_Pr4Sn6Pb6S24

[ "Cl", "Cs", "Hg" ]

4

A2BC

ClCsHg2

Cs1 Hg2 Cl1

3

[ 1, 1, 1 ]

3

[ [ 0, 4.29841035, 4.29841035 ], [ 4.29841035, 0, 4.29841035 ], [ 4.29841035, 4.29841035, 0 ] ]

agm002660393

[ [ 4.29841035, 4.29841035, 4.29841035 ], [ 2.149205175, 2.149205175, 2.149205175 ], [ 6.447615525, 6.447615525, 6.447615525 ], [ 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": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]

[ "Cs", "Hg", "Hg", "Cl" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 1.9362298, 0, 0 ], [ 0, 1.9362298, 0 ], [ 0, 0, 1.9362298 ] ]

-6.178531

[ 0, 0, 0, 0 ]

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

0

pbe

true

a13a2b6c3ecad11e8d465b392324e442_225_Cs1Hg2Cl1

[ "Pb", "Pr", "Te", "Tm" ]

12

A3BCD

PbPrTe3Tm

Pb1 Pr1 Te3 Tm1

4

[ 1, 1, 1 ]

3

[ [ 2.250524807, -7.680834383, 0 ], [ 2.250524807, 7.680834383, 0 ], [ 0, 0, 12.136371175 ] ]

oqmd-4949185

[ [ 2.2505199999999985, 3.036850000000002, 3.0340900000000026 ], [ 2.2505199999999985, -3.036850000000002, 9.10228 ], [ 2.2505200000000007, -2.0294389910391844e-16, 0 ], [ 2.2505200000000007, -2.0294389910391844e-16, 6.068189999999998 ], [ 2.2505200000000007, -5.464000000000001, 0.64676 ], [ 2.2505200000000007, -1.4919100000000045, 3.0340900000000026 ], [ 2.2505200000000007, -5.464000000000001, 5.421429999999995 ], [ 2.2505200000000007, 5.464000000000001, 6.714950000000002 ], [ 2.2505200000000007, 1.4919100000000045, 9.10228 ], [ 2.2505200000000007, 5.464000000000001, 11.48961 ], [ 2.2505199999999994, -7.254639999999998, 3.0340900000000026 ], [ 2.250519999999999, 7.254639999999998, 9.10228 ] ]

[{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]

[ "Pb", "Pb", "Pr", "Pr", "Te", "Te", "Te", "Te", "Te", "Te", "Tm", "Tm" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.16666666666666666, 0.5, 0.16666666666666666 ]

[ [ 3.52308885, 0, 0 ], [ 0, 2.62153807, 0 ], [ 0, 0, 2.93280007 ] ]

-55.4647

[ 0.009, 0.009, 0.072, 0.075, -0.001, -0.006, -0.001, -0.001, -0.006, -0.001, 0.09, 0.09 ]

[ [ 0, -0.008023, 0 ], [ 0, 0.008023, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.016522, 0.000223 ], [ 0, -0.024742, 0 ], [ 0, -0.016522, -0.000223 ], [ 0, 0.016522, 0.000223 ], [ 0, 0.024742, 0 ], [ 0, 0.016522, -0.000223 ], [ 0, -0.015806, 0 ], [ 0, 0.015806, 0 ] ]

0.601565

null

pbe

true

7c16b3c6b9b3eee54325d8ebf64cdba6_63_Pr2Tm2Te6Pb2

[ "Pb", "Pr", "Te", "Zn" ]

12

A3BCD

PbPrTe3Zn

Pb1 Pr1 Te3 Zn1

4

[ 1, 1, 1 ]

3

[ [ 2.219248894, -7.382457065, 0 ], [ 2.219248894, 7.382457065, 0 ], [ 0, 0, 11.618201228 ] ]

oqmd-4939440

[ [ 2.219249999999999, -4.205959999999999, 2.9045500000000004 ], [ 2.219249999999999, 4.205959999999999, 8.71365 ], [ 0, 0, 0 ], [ 0, 0, 5.809100000000001 ], [ 2.219250000000001, 2.1751500000000004, 0.7499499999999999 ], [ 2.219249999999999, 6.037649999999996, 2.9045500000000004 ], [ 2.219250000000001, 2.1751500000000004, 5.059149999999996 ], [ 2.219250000000001, -2.17515, 6.5590500000000045 ], [ 2.219249999999999, -6.037649999999997, 8.71365 ], [ 2.219250000000001, -2.17515, 10.868249999999996 ], [ 2.219250000000001, 0.38260999999999934, 2.9045500000000004 ], [ 2.219250000000001, -0.3826099999999994, 8.71365 ] ]

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

[ "Pb", "Pb", "Pr", "Pr", "Te", "Te", "Te", "Te", "Te", "Te", "Zn", "Zn" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.16666666666666666, 0.5, 0.16666666666666666 ]

[ [ 3.73900277, 0, 0 ], [ 0, 2.7538442, 0 ], [ 0, 0, 3.10326659 ] ]

-46.6274

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

[ [ 0, -0.018329, 0 ], [ 0, 0.018329, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.004284, -0.008108 ], [ 0, -0.020553, 0 ], [ 0, 0.004284, 0.008108 ], [ 0, -0.004284, -0.008108 ], [ 0, 0.020553, 0 ], [ 0, -0.004284, 0.008108 ], [ 0, -0.006349, 0 ], [ 0, 0.006349, 0 ] ]

0.017069

null

pbe

true

2b3ed25cc006d86304002d3880731b8d_63_Pr2Zn2Te6Pb2

[ "Pb", "Pt", "Se", "Y" ]

12

A3BCD

PbPtSe3Y

Pb1 Pt1 Se3 Y1

4

[ 1, 1, 1 ]

3

[ [ 1.945411077, -7.240555064, 0 ], [ 1.945411077, 7.240555064, 0 ], [ 0, 0, 10.640548699 ] ]

oqmd-7410166

[ [ 1.94541, -3.0396900000000007, 2.66014 ], [ 1.94541, 3.03969, 7.980409999999999 ], [ 1.9454100000000003, 6.710570000000001, 2.66014 ], [ 1.9454100000000003, -6.7105700000000015, 7.980409999999999 ], [ 1.94541, 5.17243, 0.52219 ], [ 1.94541, 1.113040000000001, 2.66014 ], [ 1.94541, 5.17243, 4.79809 ], [ 1.94541, -5.17243, 5.84246 ], [ 1.94541, -1.1130400000000007, 7.980409999999999 ], [ 1.94541, -5.17243, 10.11836 ], [ 1.94541, 1.408313157098227e-16, 0 ], [ 1.94541, 1.408313157098227e-16, 5.320269999999999 ] ]

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

[ "Pb", "Pb", "Pt", "Pt", "Se", "Se", "Se", "Se", "Se", "Se", "Y", "Y" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.16666666666666666, 0.5, 0.16666666666666666 ]

[ [ 6.69954649, 0, 0 ], [ 0, 4.49477283, 0 ], [ 0, 0, 11.95560314 ] ]

-64.5339

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

[ [ 0, -0.014585, 0 ], [ 0, 0.014585, 0 ], [ 0, -0.046957, 0 ], [ 0, 0.046957, 0 ], [ 0, -0.004937, -0.003247 ], [ 0, -0.011006, 0 ], [ 0, -0.004937, 0.003247 ], [ 0, 0.004937, -0.003247 ], [ 0, 0.011006, 0 ], [ 0, 0.004937, 0.003247 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.004119

null

pbe

true

52837501eddba6c9dfedb35bc80c0da7_63_Y2Pt2Pb2Se6

[ "Co", "Cs", "F" ]

34

A10B4C3

Co3Cs4F10

Cs8 Co6 F20

3

[ 1, 1, 1 ]

3

[ [ 7.99662582, -0.0011868, 0 ], [ -5.51170082, 5.79371901, 0 ], [ 0, 0, 14.10238954 ] ]

agm003242240

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

[ "Cs", "Cs", "Cs", "Cs", "Cs", "Cs", "Cs", "Cs", "Co", "Co", "Co", "Co", "Co", "Co", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F" ]

2023-11-16 06:57:59

[ 0.17647058823529413, 0.23529411764705882, 0.5882352941176471 ]

[ [ 1.3896974, 0.00742872, 0 ], [ 0.00742872, 1.4038274, 0 ], [ 0, 0, 1.3162411 ] ]

-158.455183

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18.000002

0

pbe

true

572546112e06a21d31861eca6131014a_64_Cs8Co6F20

[ "Ge", "Te", "Th" ]

7

A4B2C

Ge2TeTh4

Th4 Ge2 Te1

3

[ 1, 1, 1 ]

3

[ [ 4.16272389, 0, 0.6048819 ], [ 2.03741447, 3.6300424, 0.6048819 ], [ 0.04714291, 0.02760119, 14.30169285 ] ]

agm005913304

[ [ 2.6635659758395493, 1.5594583834260134, 10.92190708148118 ], [ 3.58371529416045, 2.098185206573986, 4.58954956851882 ], [ 0, 0, 0 ], [ 0.8444074802310628, 0.49438174460909884, 8.815013470251008 ], [ 1.7584672361743316, 1.029543265334217, 2.524578076819794 ], [ 4.488814033825668, 2.628100324665783, 12.986878573180206 ], [ 5.402873789768937, 3.1632618453909007, 6.696443179748993 ] ]

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

[ "Ge", "Ge", "Te", "Th", "Th", "Th", "Th" ]

2023-11-16 06:57:59

[ 0.2857142857142857, 0.14285714285714285, 0.5714285714285714 ]

[ [ 0.5077769, 0.00086719, -0.01019334 ], [ 0.00086719, 0.5068033, -0.00596797 ], [ -0.01019334, -0.00596797, 0.57644516 ] ]

-46.673359

[ 0.001, 0.001, -0.001, 0.062, -0.008, -0.008, 0.062 ]

[ [ 0.00016382, 0.00009591, -0.00112737 ], [ -0.00016382, -0.00009591, 0.00112737 ], [ 0, 0, 0 ], [ 0.00002144, 0.00001255, -0.00014758 ], [ -0.00008719, -0.00005105, 0.00060004 ], [ 0.00008719, 0.00005105, -0.00060004 ], [ -0.00002144, -0.00001255, 0.00014758 ] ]

0.272239

5.367539

pbe

true

aa2cef24a130586ec63047346ae8497c_166_Th4Ge2Te1

[ "Pb", "Rb", "Se", "Tm" ]

12

A3BCD

PbRbSe3Tm

Pb1 Rb1 Se3 Tm1

4

[ 1, 1, 1 ]

3

[ [ 2.065089083, -8.466459647, 0 ], [ 2.065089083, 8.466459647, 0 ], [ 0, 0, 11.991778765 ] ]

oqmd-7487982

[ [ 2.06509, -1.84078, 2.99794 ], [ 2.06509, 1.84078, 8.99383 ], [ 2.06509, 3.1365199999999995, 2.99794 ], [ 2.06509, -3.13652, 8.99383 ], [ 2.06509, -1.9160500000000007, 0.03439 ], [ 2.06509, -8.3635, 2.99794 ], [ 2.06509, -1.9160500000000007, 5.9615 ], [ 2.06509, 1.9160500000000005, 6.03028 ], [ 2.06509, 8.3635, 8.99383 ], [ 2.06509, 1.9160500000000005, 11.95739 ], [ 0, 0, 0 ], [ 0, 0, 5.99589 ] ]

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

[ "Pb", "Pb", "Rb", "Rb", "Se", "Se", "Se", "Se", "Se", "Se", "Tm", "Tm" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.16666666666666666, 0.5, 0.16666666666666666 ]

[ [ 4.09315673, 0, 0 ], [ 0, 6.46974266, 0 ], [ 0, 0, 4.83993121 ] ]

-53.3415

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

[ [ 0, -0.00859, 0 ], [ 0, 0.00859, 0 ], [ 0, -0.033355, 0 ], [ 0, 0.033355, 0 ], [ 0, -0.020869, -0.009539 ], [ 0, -0.018863, 0 ], [ 0, -0.020869, 0.009539 ], [ 0, 0.020869, -0.009539 ], [ 0, 0.018863, 0 ], [ 0, 0.020869, 0.009539 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.014867

null

pbe

true

ac370a32c4be41c345bdd2018942b238_63_Rb2Tm2Pb2Se6

[ "Ac", "Pm", "Y" ]

4

A2BC

AcPmY2

Ac1 Pm1 Y2

3

[ 1, 1, 1 ]

3

[ [ 4.14020354, 0, 0 ], [ 0, 4.14020354, 0 ], [ 0, 0, 8.39977744 ] ]

agm001124587

[ [ 0, 0, 6.4369060241234815 ], [ 0, 0, 1.9628714158765184 ], [ 2.07010177, 2.07010177, 4.19988872 ], [ 2.07010177, 2.07010177, 0 ] ]

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

[ "Y", "Y", "Ac", "Pm" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 1.3252863, 0, 0 ], [ 0, 1.3252863, 0 ], [ 0, 0, 1.6611162 ] ]

-21.422299

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0.0093132 ], [ 0, 0, -0.0093132 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000121

7.150294

pbe

true

21d88af92dcf5006b9d99cd00b276006_123_Ac1Pm1Y2

[ "Co", "Cs", "Re" ]

4

A2BC

CoCs2Re

Cs2 Co1 Re1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.80407031, 3.80407031 ], [ 3.80407031, 0, 3.80407031 ], [ 3.80407031, 3.80407031, 0 ] ]

agm002663204

[ [ 1.902035155, 1.902035155, 1.902035155 ], [ 5.706105465, 5.706105465, 5.706105465 ], [ 3.80407031, 3.80407031, 3.80407031 ], [ 0, 0, 0 ] ]

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

[ "Cs", "Cs", "Re", "Co" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 59.040115, 0, 0 ], [ 0, 59.040115, 0 ], [ 0, 0, 59.040115 ] ]

-11.603882

[ 0.066, 0.066, 2.933, 1.945 ]

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

5.508469

5.324164

pbe

true

7776cf936f9612e1fcdc0de4dcdeafc5_225_Cs2Co1Re1

[ "Ac", "Pm", "Zn" ]

3

ABC

AcPmZn

Ac1 Pm1 Zn1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.708797, 3.708797 ], [ 3.708797, 0, 3.708797 ], [ 3.708797, 3.708797, 0 ] ]

oqmd-4358245

[ [ 1.8543999999999967, 1.8543999999999967, 1.8543999999999967 ], [ 5.563189999999998, 5.563189999999998, 5.563189999999998 ], [ 0, 0, 0 ] ]

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

[ "Ac", "Pm", "Zn" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 3.7549, 0, 0 ], [ 0, 3.7549, 0 ], [ 0, 0, 3.7549 ] ]

-9.98859

[ 0.003, 0.009, -0.001 ]

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

0.027542

null

pbe

true

33f5c1de90f8e6e601c24bf8f4a22768_216_Ac1Pm1Zn1

[ "N", "Ti" ]

5

A3B2

N2Ti3

Ti3 N2

2

[ 1, 1, 1 ]

3

[ [ 3.02668951, 0, 0 ], [ -1.51334475, 2.62119, 0 ], [ 0, 0, 7.19466208 ] ]

agm002386677

[ [ -1.1800114209040581e-8, 1.7474600087373, 1.2524907342717087 ], [ 1.5133447718001143, 0.8737299912626999, 5.942171345728291 ], [ 0, 0, 0 ], [ -1.1800114209040581e-8, 1.7474600087373, 4.85085248156129 ], [ 1.5133447718001143, 0.8737299912626999, 2.3438095984387104 ] ]

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

[ "N", "N", "Ti", "Ti", "Ti" ]

2023-11-16 06:57:59

[ 0.4, 0.6 ]

[ [ 0.94127333, 0, 0 ], [ 0, 0.94127333, 0 ], [ 0, 0, 0.892324 ] ]

-47.447947

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0.0032259 ], [ 0, 0, -0.0032259 ], [ 0, 0, 0 ], [ 0, 0, 0.00041427 ], [ 0, 0, -0.00041427 ] ]

0.000273

4.831351

pbe

true

cde3ef3e84beb022e58e956623796925_164_Ti3N2

[ "Na", "Tc" ]

4

A3B

Na3Tc

Na3 Tc1

2

[ 1, 1, 1 ]

3

[ [ 0, 3.78208548, 3.78208548 ], [ 3.78208548, 0, 3.78208548 ], [ 3.78208548, 3.78208548, 0 ] ]

mp-1185997

[ [ 0, 0, 0 ], [ 3.78208548, 3.78208548, 3.78208548 ], [ 1.89103517582904, 1.89103517582904, 1.89103517582904 ], [ 5.673128220000001, 5.673128220000001, 5.673128220000001 ] ]

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

[ "Na", "Na", "Na", "Tc" ]

2019-01-11 13:59:19

[ 0.75, 0.25 ]

[ [ -1.25549147, 0, 0 ], [ 0, -1.25549147, 0 ], [ 0, 0, -1.25549147 ] ]

-10.327789

[ -0.016, -0.016, -0.022, 3.006 ]

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

2.952

1.507158

pbe

true

012e8f86256eb978a28122d1ffb11ee7_225_Na3Tc1

[ "Na", "Te" ]

2

AB

NaTe

Na1 Te1

2

[ 1, 1, 1 ]

3

[ [ 3.52858414, 0, 0 ], [ 0, 3.52858414, 0 ], [ 0, 0, 4.51776018 ] ]

agm004461469

[ [ 0, 0, 0 ], [ 1.76429207, 1.76429207, 2.25888009 ] ]

[{"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"]}]

[ "Na", "Te" ]

2023-11-16 06:57:59

[ 0.5, 0.5 ]

[ [ 0.01599097, 0, 0 ], [ 0, 0.01599097, 0 ], [ 0, 0, 0.22776034 ] ]

-5.675977

[ 0, 0 ]

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

-0.000002

0.914382

pbe

true

cd89adfae324c40207f65b5f73c99a76_123_Na1Te1

[ "Ge", "Te", "Tl" ]

10

A2B2C

GeTe2Tl2

Tl4 Ge2 Te4

3

[ 1, 1, 1 ]

3

[ [ 8.22110597, 0, 0 ], [ 0, 8.22110597, 0 ], [ 0, 0, 4.86649968 ] ]

agm002981341

[ [ 1.1551800732132815, 5.265733058213281, 2.43324984 ], [ 5.265733058213281, 7.065925896786719, 2.43324984 ], [ 7.065925896786719, 2.9553729117867187, 2.43324984 ], [ 2.9553729117867187, 1.1551800732132815, 2.43324984 ], [ 2.664773997858696, 6.7753269828586955, 0 ], [ 6.7753269828586955, 5.5563319721413045, 0 ], [ 5.5563319721413045, 1.4457789871413043, 0 ], [ 1.4457789871413043, 2.664773997858696, 0 ], [ 0, 0, 0 ], [ 4.110552985, 4.110552985, 0 ] ]

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

[ "Tl", "Tl", "Tl", "Tl", "Te", "Te", "Te", "Te", "Ge", "Ge" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.4 ]

[ [ 1.4972999, 0, 0 ], [ 0, 1.4972999, 0 ], [ 0, 0, 4.378624 ] ]

-31.264161

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

[ [ 0.00020704, 0.00020704, 0 ], [ 0.00020704, -0.00020704, 0 ], [ -0.00020704, -0.00020704, 0 ], [ -0.00020704, 0.00020704, 0 ], [ -0.0023594, -0.0023594, 0 ], [ -0.0023594, 0.0023594, 0 ], [ 0.0023594, 0.0023594, 0 ], [ 0.0023594, -0.0023594, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000001

5.90516

pbe

true

7d930683b24c5db81847db320786b878_127_Tl4Ge2Te4

[ "Co", "Cu", "Si" ]

4

A2BC

Co2CuSi

Co2 Cu1 Si1

3

[ 1, 1, 1 ]

3

[ [ 0, 2.805197, 2.805197 ], [ 2.805197, 0, 2.805197 ], [ 2.805197, 2.805197, 0 ] ]

oqmd-2299183

[ [ 0, 0, 0 ], [ 4.207790000000001, 4.207790000000001, 4.207790000000001 ], [ 1.4026000000000003, 1.4026000000000003, 1.4026000000000003 ], [ 2.80519, 2.80519, 2.80519 ] ]

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

[ "Co", "Co", "Cu", "Si" ]

2024-11-01 00:00:00

[ 0.5, 0.25, 0.25 ]

[ [ 26.9263, 0, 0 ], [ 0, 26.9263, 0 ], [ 0, 0, 26.9263 ] ]

-23.4714

[ 0.518, -0.633, -0.006, 0.018 ]

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

-0.130581

null

pbe

true

412b4862d61d71c4a19aedf85c093c44_216_Co2Cu1Si1

[ "Co", "Cu", "Sr" ]

6

A4BC

CoCu4Sr

Sr1 Co1 Cu4

3

[ 1, 1, 1 ]

3

[ [ 0, 3.59849416, 3.59849416 ], [ 3.59849416, 0, 3.59849416 ], [ 3.59849416, 3.59849416, 0 ] ]

agm005433622

[ [ 5.39774124, 5.39774124, 5.39774124 ], [ 0, 0, 0 ], [ 2.685116023802349, 4.511872332182593, 4.511872332182593 ], [ 4.511872332182593, 4.511872332182593, 2.685116023802349 ], [ 4.511872332182593, 2.685116023802349, 4.511872332182593 ], [ 2.685116023802349, 2.685116023802349, 2.685116023802349 ] ]

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

[ "Sr", "Co", "Cu", "Cu", "Cu", "Cu" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.6666666666666666, 0.16666666666666666 ]

[ [ -6.574623, 0, 0 ], [ 0, -6.574623, 0 ], [ 0, 0, -6.574623 ] ]

-23.72894

[ -0.024, 1.544, -0.016, -0.016, -0.016, -0.016 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00381468, -0.00381468, -0.00381468 ], [ -0.00381468, -0.00381468, 0.00381468 ], [ -0.00381468, 0.00381468, -0.00381468 ], [ 0.00381468, 0.00381468, 0.00381468 ] ]

1.27372

6.626274

pbe

true

760e5cf1c7b9e7de397e789650ca38f6_216_Sr1Co1Cu4

[ "Co", "Er", "Nb" ]

4

A2BC

Co2ErNb

Er1 Nb1 Co2

3

[ 1, 1, 1 ]

3

[ [ 3.12008318, 0, 0 ], [ 0, 3.12008318, 0 ], [ 0, 0, 6.70035708 ] ]

agm001149966

[ [ 1.56004159, 1.56004159, 0 ], [ 0, 0, 5.3359635018067415 ], [ 0, 0, 1.3643935781932583 ], [ 1.56004159, 1.56004159, 3.35017854 ] ]

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

[ "Nb", "Co", "Co", "Er" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 1.8069382, 0, 0 ], [ 0, 1.8069382, 0 ], [ 0, 0, 2.0305068 ] ]

-29.361528

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, -0.00047699 ], [ 0, 0, 0.00047699 ], [ 0, 0, 0 ] ]

-0.000379

4.875022

pbe

true

4e710137682f564fbd32a61d9155e5df_123_Er1Nb1Co2

[ "Pb", "Sb", "Se", "Tm" ]

12

A3BCD

PbSbSe3Tm

Pb1 Sb1 Se3 Tm1

4

[ 1, 1, 1 ]

3

[ [ 1.997080412, -7.405717995, 0 ], [ 1.997080412, 7.405717995, 0 ], [ 0, 0, 11.568521457 ] ]

oqmd-7490002

[ [ 1.9970799999999995, 4.839629999999999, 2.892129999999999 ], [ 1.9970799999999995, -4.83963, 8.67639 ], [ 1.9970799999999995, -5.24999, 2.892129999999999 ], [ 1.9970799999999995, 5.2499899999999995, 8.67639 ], [ 1.9970799999999995, -5.421730000000001, 0.07877 ], [ 1.9970799999999995, -0.17436000000000074, 2.892129999999999 ], [ 1.9970799999999995, -5.421730000000001, 5.705489999999999 ], [ 1.9970799999999995, 5.421729999999998, 5.86303 ], [ 1.9970799999999995, 0.17435999999999915, 8.67639 ], [ 1.9970799999999995, 5.421729999999998, 11.48975 ], [ 1.9970799999999995, -7.845278608265649e-16, 0 ], [ 1.9970799999999995, -7.845278608265649e-16, 5.784259999999999 ] ]

[{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]

[ "Pb", "Pb", "Sb", "Sb", "Se", "Se", "Se", "Se", "Se", "Se", "Tm", "Tm" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.16666666666666666, 0.5, 0.16666666666666666 ]

[ [ 4.31729507, 0, 0 ], [ 0, 4.11556071, 0 ], [ 0, 0, 4.70178671 ] ]

-55.4144

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

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0.035403

null

pbe

true

854d07448e45ef974a794c6b6f049a15_63_Tm2Sb2Pb2Se6

[ "Co", "Er", "Os" ]

10

A3BC

CoEr3Os

Er6 Co2 Os2

3

[ 1, 1, 1 ]

3

[ [ 4.28947559, 0.00022735, 0.00064259 ], [ -0.00030784, 5.9547303, 0.00307222 ], [ -0.00127786, -0.00451756, 8.53865512 ] ]

agm005920080

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

[ "Er", "Er", "Er", "Er", "Er", "Er", "Co", "Co", "Os", "Os" ]

2023-11-16 06:57:59

[ 0.2, 0.6, 0.2 ]

[ [ 1.8143479, -0.00000947, 0.00000854 ], [ -0.00000947, 2.046061, 0.00012515 ], [ 0.00000854, 0.00012515, 1.7587245 ] ]

-66.434747

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

[ [ 5.1e-7, -0.00039493, -0.00328111 ], [ 6e-8, -0.00112512, -5.8e-7 ], [ -4.7e-7, -0.0003984, 0.0032807 ], [ -5.1e-7, 0.00039493, 0.00328111 ], [ 4.7e-7, 0.0003984, -0.0032807 ], [ -6e-8, 0.00112512, 5.8e-7 ], [ 4.4e-7, -0.00860341, -0.00000444 ], [ -4.4e-7, 0.00860341, 0.00000444 ], [ 2.4e-7, -0.00467689, -0.00000241 ], [ -2.4e-7, 0.00467689, 0.00000241 ] ]

0.000015

6.74922

pbe

true

c98292d60f5266e57c50754d19931284_59_Er6Co2Os2

[ "Na", "Tl" ]

12

A2B

NaTl2

Na4 Tl8

2

[ 1, 1, 1 ]

3

[ [ 0, 5.73193216, 5.73193216 ], [ 5.73193216, 0, 5.73193216 ], [ 5.73193216, 5.73193216, 0 ] ]

agm005221782

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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"]}]

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

2023-11-16 06:57:59

[ 0.3333333333333333, 0.6666666666666666 ]

[ [ 4.236327, 0, 0 ], [ 0, 4.236327, 0 ], [ 0, 0, 4.236327 ] ]

-23.930111

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.0018691, -0.0018691, -0.0018691 ], [ -0.0018691, 0.0018691, 0.0018691 ], [ 0.0018691, 0.0018691, -0.0018691 ], [ 0.0018691, -0.0018691, -0.0018691 ], [ 0.0018691, 0.0018691, 0.0018691 ], [ 0.0018691, -0.0018691, 0.0018691 ], [ -0.0018691, -0.0018691, 0.0018691 ], [ -0.0018691, 0.0018691, -0.0018691 ] ]

-0

6.509092

pbe

true

a512e71976790faed113559f447dc3b2_227_Na4Tl8

[ "Nd", "Ni" ]

4

A3B

Nd3Ni

Nd3 Ni1

2

[ 1, 1, 1 ]

3

[ [ 3.65970501, 0, 0 ], [ 0, 5.99753095, 0 ], [ -1.82985251, -2.99876547, 5.30834877 ] ]

agm001282492

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

[ "Ni", "Nd", "Nd", "Nd" ]

2023-11-16 06:57:59

[ 0.75, 0.25 ]

[ [ -1.5991151, 0, 0 ], [ 0, -1.5032092, 0 ], [ 0, 0, -1.1220497 ] ]

-20.363655

[ 0, 0, 0, 0 ]

[ [ 0, 0.00090241, 0 ], [ 0, -0.00155957, -0.00283165 ], [ 0, 0.00221673, 0 ], [ 0, -0.00155957, 0.00283165 ] ]

0.000101

6.693826

pbe

true

ed35f89bbeab65fcea11f264cbc0569a_44_Nd3Ni1

[ "Os", "Te" ]

4

A3B

Os3Te

Te1 Os3

2

[ 1, 1, 1 ]

3

[ [ 2.89358097, 0, 0 ], [ 0, 3.80440772, 0 ], [ 0, 0, 5.98951588 ] ]

agm003823306

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

[ "Os", "Os", "Os", "Te" ]

2023-11-16 06:57:59

[ 0.75, 0.25 ]

[ [ 11.789496, 0, 0 ], [ 0, 11.830298, 0 ], [ 0, 0, 11.258537 ] ]

-33.658635

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0.04021604 ], [ 0, 0, 0 ], [ 0, 0, -0.04021604 ], [ 0, 0, 0 ] ]

-0.000001

4.635624

pbe

true

954b6c25e928e743e18468e7ff94fd39_47_Te1Os3

[ "Al", "Li" ]

4

A3B

Al3Li

Li1 Al3

2

[ 1, 1, 1 ]

3

[ [ 4.55260559, 0, 0 ], [ 2.27630279, 3.94267209, 0 ], [ 2.27630279, 1.31422403, 3.7171869 ] ]

agm002157205

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

[ "Al", "Al", "Al", "Li" ]

2023-11-16 06:57:59

[ 0.75, 0.25 ]

[ [ 7.385491, 0, 0 ], [ 0, 7.385491, 0 ], [ 0, 0, 7.385491 ] ]

-13.14159

[ 0, 0, 0, 0 ]

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

0

0.892226

pbe

true

b05b4905e6fe9ebd4a14c9989497a5a3_225_Li1Al3

[ "Cl", "Cu", "Os" ]

4

A2BC

ClCuOs2

Cu1 Os2 Cl1

3

[ 1, 1, 1 ]

3

[ [ 3.71579925, 0.01627269, 0.1124471 ], [ 2.63589609, 2.61906103, 0.1124471 ], [ 2.65768621, 1.10268042, 7.45862254 ] ]

agm004013735

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

[ "Os", "Os", "Cu", "Cl" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ -1.9933931, 0.16979316, -0.03664299 ], [ 0.16979316, -2.3321817, -0.01520326 ], [ -0.03664196, -0.01520284, -2.2996488 ] ]

-25.841366

[ 0, 0, 0, 0 ]

[ [ 0.0013498, 0.00056004, 0.00359169 ], [ -0.00005857, -0.0000243, -0.00282234 ], [ -0.00525066, -0.00217851, 0.00113443 ], [ 0.00395942, 0.00164277, -0.00190378 ] ]

0

2.372274

pbe

true

848de4cba4fdef88b3a4a8b6900dd90c_8_Cu1Os2Cl1

[ "As", "Sm" ]

4

AB

AsSm

Sm2 As2

2

[ 1, 1, 1 ]

3

[ [ 16.4992315, 0, 0 ], [ -8.24961575, 14.28875363, 0 ], [ 0, 0, 6.59356047 ] ]

agm1000002835

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

[ "As", "As", "Sm", "Sm" ]

2023-11-16 06:57:59

[ 0.5, 0.5 ]

[ [ -0.04731558, 0.01554519, 0 ], [ 0.01554519, -0.0238784, 0 ], [ 0, 0, 0.04251707 ] ]

-16.283411

[ 0, 0, 0, 0 ]

[ [ 0.00280002, -0.0010474, -0.0039591 ], [ 0.00280002, -0.0010474, 0.0039591 ], [ -0.00000388, 0.00084286, 0 ], [ -0.00559615, 0.00125194, 0 ] ]

0.000244

3.396897

pbe

true

e8d03776232608c7a53f43930171ac0d_6_Sm2As2

[ "Pb", "Sm", "Tb", "Te" ]

12

A3BCD

PbSmTbTe3

Pb1 Sm1 Tb1 Te3

4

[ 1, 1, 1 ]

3

[ [ 2.269071334, -7.694779104, 0 ], [ 2.269071334, 7.694779104, 0 ], [ 0, 0, 11.886804134 ] ]

oqmd-7485956

[ [ 2.26907, 3.0337999999999994, 2.9717 ], [ 2.26907, -3.0338000000000007, 8.9151 ], [ 2.26907, -3.324267786383777e-16, 0 ], [ 2.26907, -3.324267786383777e-16, 5.9434 ], [ 2.26907, -7.333569999999999, 2.9717 ], [ 2.26907, 7.333569999999999, 8.9151 ], [ 2.26907, -5.52664, 0.53796 ], [ 2.26907, -1.5721799999999997, 2.9717 ], [ 2.26907, -5.52664, 5.40544 ], [ 2.26907, 5.526639999999999, 6.48136 ], [ 2.26907, 1.572179999999999, 8.9151 ], [ 2.26907, 5.526639999999999, 11.34885 ] ]

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

[ "Pb", "Pb", "Sm", "Sm", "Tb", "Tb", "Te", "Te", "Te", "Te", "Te", "Te" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.16666666666666666, 0.16666666666666666, 0.5 ]

[ [ 0.84225166, 0, 0 ], [ 0, -0.41410273, 0 ], [ 0, 0, 2.29392822 ] ]

-55.621

[ 0.008, 0.007, 0.042, 0.042, 0.049, 0.049, -0.002, -0.003, -0.001, -0.001, -0.004, -0.002 ]

[ [ 0, -0.103628, 0 ], [ 0, 0.103628, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.015926, 0 ], [ 0, -0.015926, 0 ], [ 0, -0.028198, -0.002858 ], [ 0, -0.050417, 0 ], [ 0, -0.028198, 0.002858 ], [ 0, 0.028198, -0.002858 ], [ 0, 0.050417, 0 ], [ 0, 0.028198, 0.002858 ] ]

0.350342

null

pbe

true

585d73f992e1035b96913f3c2a293be0_63_Tb2Sm2Te6Pb2

[ "Cl", "Cu", "Ru" ]

4

A2BC

ClCuRu2

Cu1 Ru2 Cl1

3

[ 1, 1, 1 ]

3

[ [ 4.35166466, -0.00648259, 0.01313204 ], [ 3.42518433, 2.68423911, 0.01313204 ], [ 0.96145227, 0.33105119, 4.85408365 ] ]

agm003938805

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

[ "Ru", "Ru", "Cu", "Cl" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ -2.9452388, 0.01001723, -0.16775244 ], [ 0.01001723, -2.970882, -0.05776121 ], [ -0.16775154, -0.0577609, -2.5883403 ] ]

-21.803802

[ 0, 0, 0, 0 ]

[ [ -0.00032173, -0.00011078, 0.00046394 ], [ 0.00032173, 0.00011078, -0.00046394 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000188

4.652278

pbe

true

dfd6fd61b7183706f937056121b3c43d_12_Cu1Ru2Cl1

[ "Cl", "Cu", "S" ]

36

ABC

ClCuS

Cl12 Cu12 S12

3

[ 1, 1, 1 ]

3

[ [ 7.89675418, 0.2276163, 0 ], [ -3.00902872, 8.71282785, 0 ], [ 0, 0, 11.67024133 ] ]

mp-1147671

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

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2018-12-27 11:40:59

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2.256578

pbe

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7f2d764d668ca6e6c1ca78f311826454_11_Cu12S12Cl12

[ "Cl", "Cu", "Sb" ]

4

A2BC

ClCu2Sb

Cu2 Sb1 Cl1

3

[ 1, 1, 1 ]

3

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agm003962250

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[ "Sb", "Cu", "Cu", "Cl" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

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897f443fd8fbd44a9b74414810bdc4dc_47_Cu2Sb1Cl1

[ "Pb", "Sn", "Te", "Tm" ]

12

A3BCD

PbSnTe3Tm

Pb1 Sn1 Te3 Tm1

4

[ 1, 1, 1 ]

3

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oqmd-4916399

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[ "Pb", "Pb", "Sn", "Sn", "Te", "Te", "Te", "Te", "Te", "Te", "Tm", "Tm" ]

2024-11-01 00:00:00

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0.010965

null

pbe

true

42c3b2e047178db8850bb5c77b52aac2_63_Tm2Sn2Te6Pb2

[ "Au", "Ge" ]

4

AB

AuGe

Ge2 Au2

2

[ 1, 1, 1 ]

3

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agm002152389

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

[ "Ge", "Ge", "Au", "Au" ]

2023-11-16 06:57:59

[ 0.5, 0.5 ]

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0

1.777935

pbe

true

6d598c15b491f70f5982cb2ae1b98d21_194_Ge2Au2

[ "Au", "H" ]

2

AB

AuH

H1 Au1

2

[ 1, 1, 1 ]

3

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agm002073403

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

[ "H", "Au" ]

2023-11-16 06:57:59

[ 0.5, 0.5 ]

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0

0.14603

pbe

true

4e47787ad69ec83afdb92892dfd78d78_47_H1Au1

[ "Au", "Li" ]

4

A3B

Au3Li

Li1 Au3

2

[ 1, 1, 1 ]

3

[ [ 2.89553744, 0, 0 ], [ 0, 4.15449951, 0 ], [ 0, 0, 5.68124337 ] ]

agm003188609

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

[ "Au", "Au", "Au", "Li" ]

2023-11-16 06:57:59

[ 0.75, 0.25 ]

[ [ 6.5628138, 0, 0 ], [ 0, 5.589229, 0 ], [ 0, 0, 6.028515 ] ]

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0.000001

0.944955

pbe

true

1a61f3baf16954d4bf689c0acdc32d2a_47_Li1Au3

[ "Au", "Mn" ]

4

AB

AuMn

Mn2 Au2

2

[ 1, 1, 1 ]

3

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agm2000122269

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

[ "Mn", "Mn", "Au", "Au" ]

2023-11-16 06:57:59

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-23.222173

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8.679286

2.928443

pbe

true

8b9e23f9a845c440f32bfda0e9cc5a4a_51_Mn2Au2

[ "Au", "Na" ]

4

A3B

AuNa3

Au1 Na3

2

[ 1, 1, 1 ]

3

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mp-1186018

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

[ "Na", "Na", "Na", "Au" ]

2023-01-14 20:38:09

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1.921708

pbe

true

5cbc3687744d9951a2e5e6d99955ab18_225_Na3Au1