LeMaterial/LeMat-Bulk · Datasets at Hugging Face

[ "Pt", "Sb", "Zr" ]

3

ABC

PtSbZr

Pt1 Sb1 Zr1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.288815915, 3.288815915 ], [ 3.288815915, 0, 3.288815915 ], [ 3.288815915, 3.288815915, 0 ] ]

oqmd-7400075

[ [ 4.93322, 4.93322, 4.93322 ], [ 1.6444099999999997, 1.6444099999999997, 1.6444099999999997 ], [ 0, 0, 0 ] ]

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

[ "Pt", "Sb", "Zr" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 10.05793856, 0, 0 ], [ 0, 10.05793856, 0 ], [ 0, 0, 10.05793856 ] ]

-20.0269

[ -0.001, 0, 0.001 ]

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

0.000636

null

pbe

true

ee1c69a77c6df0bf5d9dabac3062ea00_216_Zr1Sb1Pt1

[ "Br", "Cl", "N", "Re", "Rh" ]

56

A6B5CDE

Br6ClN5ReRh

Br24 Cl4 N20 Re4 Rh4

5

[ 1, 1, 1 ]

3

[ [ 8.3236258, 0.01620593, 0.08822445 ], [ 0.09612863, 11.14008615, 3.06384322 ], [ 0.10014976, -0.29649149, 15.99651937 ] ]

mp-1201300

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[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]

[ "Re", "Re", "Re", "Re", "Rh", "Rh", "Rh", "Rh", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "Cl", "Cl", "Cl", "Cl" ]

2019-01-12 08:22:00

[ 0.42857142857142855, 0.07142857142857142, 0.35714285714285715, 0.07142857142857142, 0.07142857142857142 ]

[ [ 0.03569598, 0.03932679, -0.00961302 ], [ 0.03932679, 1.68578583, -0.70135187 ], [ -0.00961293, -0.70135191, 1.31496412 ] ]

-221.364053

[ 0.254, 0.254, 0.285, 0.285, -0.048, -0.048, -0.071, -0.071, 0.015, 0.015, -0.016, -0.016, 0.009, 0.009, 0.036, 0.036, 0.031, 0.031, 0.019, 0.019, 0.03, 0.03, -0.004, -0.004, 0.03, 0.03, 0.023, 0.023, 0.025, 0.025, -0.009, -0.009, 0.001, 0.001, 1.259, 1.259, 1.213, 1.213, 1.246, 1.246, 1.238, 1.238, 1.216, 1.216, 1.265, 1.265, 1.186, 1.186, 1.254, 1.254, 0.002, 0.002, 0.342, 0.342, 0.331, 0.331 ]

[ [ 0.00689881, 0.09671963, 0.05563574 ], [ -0.00689881, -0.09671963, -0.05563574 ], [ 0.01808846, -0.04688181, 0.01286261 ], [ -0.01808846, 0.04688181, -0.01286261 ], [ -0.00123151, 0.01943429, 0.05102175 ], [ 0.00123151, -0.01943429, -0.05102175 ], [ 0.01597766, 0.04769893, 0.03371573 ], [ -0.01597766, -0.04769893, -0.03371573 ], [ 0.04481477, 0.08730802, 0.06183856 ], [ -0.04481477, -0.08730802, -0.06183856 ], [ 0.00361355, 0.17515533, 0.08158581 ], [ -0.00361355, -0.17515533, -0.08158581 ], [ 0.00349591, -0.04524429, -0.02972244 ], [ -0.00349591, 0.04524429, 0.02972244 ], [ -0.01433844, 0.00654553, 0.01303458 ], [ 0.01433844, -0.00654553, -0.01303458 ], [ 0.01898907, 0.01254453, 0.0112684 ], [ -0.01898907, -0.01254453, -0.0112684 ], [ -0.03426423, 0.07669823, 0.04502149 ], [ 0.03426423, -0.07669823, -0.04502149 ], [ 0.00525964, 0.09863869, 0.062056 ], [ -0.00525964, -0.09863869, -0.062056 ], [ -0.00405023, -0.13677039, -0.08340027 ], [ 0.00405023, 0.13677039, 0.08340027 ], [ 0.02831243, -0.01827625, 0.00354498 ], [ -0.02831243, 0.01827625, -0.00354498 ], [ 0.05453869, -0.01775591, -0.01737402 ], [ -0.05453869, 0.01775591, 0.01737402 ], [ -0.05409736, -0.05147262, -0.02362138 ], [ 0.05409736, 0.05147262, 0.02362138 ], [ -0.00177531, -0.01860307, -0.0049469 ], [ 0.00177531, 0.01860307, 0.0049469 ], [ -0.00498307, 0.13302854, -0.03203952 ], [ 0.00498307, -0.13302854, 0.03203952 ], [ -0.07625662, -0.0128676, 0.03679394 ], [ 0.07625662, 0.0128676, -0.03679394 ], [ -0.00277273, 0.0075253, 0.06440274 ], [ 0.00277273, -0.0075253, -0.06440274 ], [ 0.07342685, -0.01198584, 0.01210455 ], [ -0.07342685, 0.01198584, -0.01210455 ], [ 0.00015557, -0.07207797, -0.00930937 ], [ -0.00015557, 0.07207797, 0.00930937 ], [ -0.01548939, 0.02938697, 0.01449882 ], [ 0.01548939, -0.02938697, -0.01449882 ], [ 0.02575392, 0.01924145, -0.04717043 ], [ -0.02575392, -0.01924145, 0.04717043 ], [ 0.01367093, 0.02770646, 0.02274077 ], [ -0.01367093, -0.02770646, -0.02274077 ], [ -0.01455, -0.02689174, -0.02775233 ], [ 0.01455, 0.02689174, 0.02775233 ], [ 0.00132776, -0.03360476, 0.13027432 ], [ -0.00132776, 0.03360476, -0.13027432 ], [ 0.00151362, 0.09376299, -0.07684709 ], [ -0.00151362, -0.09376299, 0.07684709 ], [ 0.00324071, -0.19910113, 0.01814181 ], [ -0.00324071, 0.19910113, -0.01814181 ] ]

22.324

-0.501613

pbe

true

2a93d2559fe7381e5ed5aec84d27892d_2_Re4Rh4Br24N20Cl4

[ "Co", "K", "Na" ]

8

A2BC

CoK2Na

K4 Na2 Co2

3

[ 1, 1, 1 ]

3

[ [ 9.59610167, 0, 0 ], [ 0, 9.59610167, 0 ], [ 4.79805083, 4.79805083, 3.53044715 ] ]

agm002864639

[ [ 4.798050835, 4.798050835, 0 ], [ 4.7980508324999995, 9.5961016675, 1.765223575 ], [ 7.595196342543442, 2.3990254162499998, 0.8826117875 ], [ 2.000905324956558, 7.1970762512499995, 0.8826117875 ], [ 7.19707624875, 6.798956157456558, 2.6478353625 ], [ 11.99512708375, 12.393247175043442, 2.6478353625 ], [ 0, 0, 0 ], [ 9.5961016675, 4.7980508324999995, 1.765223575 ] ]

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

[ "Na", "Na", "K", "K", "K", "K", "Co", "Co" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 4.273907, 0, 0 ], [ 0, 4.273907, 0 ], [ 0, 0, 0.9814086 ] ]

-14.451222

[ -0.001, -0.001, -0.008, -0.008, -0.008, -0.008, 1.94, 1.925 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00166627, 0, 0 ], [ 0.00166627, 0, 0 ], [ 0, 0.00166627, 0 ], [ 0, -0.00166627, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

3.670443

24.49293

pbe

true

6d55d9394018bcd7083cc05b48ba9762_122_K4Na2Co2

[ "Co", "K", "Ni" ]

3

ABC

CoKNi

K1 Co1 Ni1

3

[ 1, 1, 1 ]

3

[ [ 4.82329004, 0, 0 ], [ -2.41164502, 4.17709171, 0 ], [ 0, 0, 2.6773135 ] ]

agm004104222

[ [ 0, 0, 2.2435024767321647 ], [ 2.4116450441164505, 1.3923638894096941, 0.895427580394405 ], [ -2.4116450294539564e-8, 2.7847278205903057, 2.215696916100295 ] ]

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

[ "Co", "K", "Ni" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ -2.761454, 0, 0 ], [ 0, -2.761454, 0 ], [ 0, 0, -3.2041118 ] ]

-10.473214

[ 1.838, -0.018, 0.617 ]

[ [ 0, 0, 0.00125935 ], [ 0, 0, -0.00305021 ], [ 0, 0, 0.00179086 ] ]

2.333278

6.055697

pbe

true

110726d70f25ffe4a286350122ccb7fa_156_K1Co1Ni1

[ "Pu", "Si", "U" ]

3

ABC

PuSiU

Pu1 Si1 U1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.214152874, 3.214152874 ], [ 3.214152874, 0, 3.214152874 ], [ 3.214152874, 3.214152874, 0 ] ]

oqmd-5037983

[ [ 0, 0, 0 ], [ 3.2141499999999987, 3.2141499999999987, 3.2141499999999987 ], [ 1.6070799999999985, 1.6070799999999985, 1.6070799999999985 ] ]

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

[ "Pu", "Si", "U" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 0.68890716, 0, 0 ], [ 0, 0.68890716, 0 ], [ 0, 0, 0.68890716 ] ]

-29.7014

[ 4.559, -0.043, 0.504 ]

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

5.05642

null

pbe

true

bf98bd2f4f19101e8100b18acfd42fb5_216_Pu1U1Si1

[ "Br", "Fe", "O", "P", "Sb" ]

136

A18B7C3D3E3

Br3Fe7O18P3Sb3

Br12 Fe28 O72 P12 Sb12

5

[ 1, 1, 1 ]

3

[ [ 5.25691024, 0, 0 ], [ 0, 15.23995345, 0 ], [ 0, 0, 26.22030211 ] ]

mp-1197479

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[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}]

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2019-01-12 02:26:54

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-873.836502

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5

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mp-740732

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2014-01-15 20:42:06

[ 0.043478260869565216, 0.43478260869565216, 0.34782608695652173, 0.13043478260869565, 0.043478260869565216 ]

[]

-526.393076

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[]

7.738

2.162993

pbe

true

bd099c2d86b27f224251d238b247066a_57_U4P12H40Br4O32

[ "Bi", "O", "Tm" ]

10

A3BC

BiO3Tm

Tm2 Bi2 O6

3

[ 1, 1, 1 ]

3

[ [ 3.87886228, -1e-8, -0.99701694 ], [ 0.04340839, 6.72139325, 0.16887601 ], [ -0.45219216, 0.52871936, 6.2845607 ] ]

agm005748549

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[ "Tm", "Tm", "Bi", "Bi", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.2, 0.6, 0.2 ]

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-70.573497

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-0

0

pbe

true

43aa7eb8103afb26eacbec45b535f382_12_Tm2Bi2O6

[ "Bi", "O", "V" ]

20

A3BC

BiO3V

V4 Bi4 O12

3

[ 1, 1, 1 ]

3

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agm002172674

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[ "Bi", "Bi", "Bi", "Bi", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "V", "V", "V", "V" ]

2023-11-16 06:57:59

[ 0.2, 0.6, 0.2 ]

[ [ 0.9080624, -0.06221141, 0.15948302 ], [ -0.06221174, 0.9797159, 0.10808565 ], [ 0.15948267, 0.10808568, 0.9809624 ] ]

-137.575754

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8.000007

0

pbe

true

c13196f172f379d9bc31ab63ef128248_15_V4Bi4O12

[ "Se", "Ti" ]

8

AB

SeTi

Se4 Ti4

2

[ 1, 1, 1 ]

3

[ [ 3.47135978, 0, 0 ], [ 0, 6.27085742, 0 ], [ 0, 0, 6.48586162 ] ]

mp-571651

[ [ 0.867839945, 4.349179187699293, 3.2835819205825927 ], [ 0.867839945, 5.057106942300707, 0.04065111058259299 ], [ 2.6035198349999997, 1.921678232300707, 3.2022796994174065 ], [ 2.6035198349999997, 1.213750477699293, 6.445210509417407 ], [ 2.6035198349999997, 5.7746129299425775, 1.8420734915255776 ], [ 0.867839945, 0.49624449005742255, 4.643788128474422 ], [ 0.867839945, 2.6391842199425772, 1.400857318474422 ], [ 2.6035198349999997, 3.6316732000574223, 5.0850043015255775 ] ]

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

[ "Ti", "Ti", "Ti", "Ti", "Se", "Se", "Se", "Se" ]

2023-03-10 23:43:14

[ 0.5, 0.5 ]

[ [ 0.03398601, 0, 0 ], [ 0, 0.0878539, 0 ], [ 0, 0, 0.01518811 ] ]

-54.465485

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

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0

6.979498

pbe

true

ee156375440f3f0c74cdc9b3d6ea5f0c_62_Ti4Se4

[ "Br", "Ir", "K", "N", "O" ]

40

A5B2CDE

Br5IrKNO2

Br20 Ir4 K4 N4 O8

5

[ 1, 1, 1 ]

3

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mp-734086

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2019-01-12 01:13:09

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C2CaCeFO6

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mp-662583

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2019-01-11 11:32:40

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5.77

5.02221

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true

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[ "Bi", "Pa", "Te" ]

3

ABC

BiPaTe

Pa1 Bi1 Te1

3

[ 1, 1, 1 ]

3

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agm001266289

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[ "Pa", "Te", "Bi" ]

2023-11-16 06:57:59

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0.13926

3.129128

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true

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[ "C", "Ca", "F", "K", "O" ]

22

A3B2C2D2E2

C2Ca2F2K2O3

C4 Ca4 F4 K4 O6

5

[ 1, 1, 1 ]

3

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mp-682592

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2019-01-11 01:20:37

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2023-11-16 06:57:59

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2019-01-11 01:52:21

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pbe

true

97e95151e683b1d17f1f83dfc945c9bb_9_Na8Ca4Pb12C20O60

[ "C", "Cd", "Cl", "H", "N" ]

60

A8B3C2DE

C2CdCl3H8N

C8 Cd4 Cl12 H32 N4

5

[ 1, 1, 1 ]

3

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mp-570587

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2014-02-27 07:13:00

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[]

-270.656657

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[]

0

-1.373952

pbe

true

51baab07670d6cd7bb46aae38ac994d0_14_Cd4H32C8N4Cl12

[ "C", "Cd", "Cl", "H", "N" ]

72

A10B3C3DE

C3CdCl3H10N

C12 Cd4 Cl12 H40 N4

5

[ 1, 1, 1 ]

3

[ [ 9.18683657, 0, 0 ], [ 0, 14.58536627, 0 ], [ 0, 0, 6.83561846 ] ]

mp-863012

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[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]

[ "Cd", "Cd", "Cd", "Cd", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "N", "N", "N", "N", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl" ]

2014-10-19 23:08:04

[ 0.16666666666666666, 0.05555555555555555, 0.16666666666666666, 0.5555555555555556, 0.05555555555555555 ]

[]

-335.727332

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[]

0

-0.567306

pbe

true

81eecfd1c24d6e092c165659fe7343d9_62_Cd4H40C12N4Cl12

[ "C", "Cd", "Cl", "H", "N" ]

108

A16B4C4D2E

C4CdCl4H16N2

C16 Cd4 Cl16 H64 N8

5

[ 1, 1, 1 ]

3

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mp-568812

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2014-02-23 03:30:57

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[]

-513.234662

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[]

0

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pbe

true

bf9126940acdc887d7e5d5988034b0f6_61_Cd4H64C16N8Cl16

[ "C", "Cd", "Cl", "O", "Rb" ]

48

A5B2C2D2E

C2CdCl2O5Rb2

C8 Cd4 Cl8 O20 Rb8

5

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3

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mp-727084

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2019-01-12 08:22:12

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-252.397676

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A48B24C16D4E3

C48Cd3H24N4O16

C48 Cd3 H24 N4 O16

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3

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oqmd-10011058

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2024-11-01 00:00:00

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C13 Cd1 H13 N3 O6

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oqmd-10046391

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2024-11-01 00:00:00

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null

pbe

true

0981238469ba35f521a590c513df822e_154_Cd3H39C39N9O18

[ "C", "Cd", "K", "N", "O" ]

44

A3B3C3DE

C3CdKN3O3

C12 Cd4 K4 N12 O12

5

[ 1, 1, 1 ]

3

[ [ 3.73370934, 0, 0 ], [ 0, 10.1161281, 0 ], [ 0, 0, 18.60894811 ] ]

mp-17799

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

[ "K", "K", "K", "K", "Cd", "Cd", "Cd", "Cd", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2014-03-20 12:07:15

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[]

-309.895672

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[]

0

-1.204904

pbe

true

de17d6807b677038139a67b045896774_62_K4Cd4C12N12O12

[ "Bi", "Pd", "Si" ]

9

A6B2C

Bi2Pd6Si

Si1 Bi2 Pd6

3

[ 1, 1, 1 ]

3

[ [ 3.84240414, 0, -0.14855767 ], [ 0, 7.29739936, 0 ], [ -1.69815034, -3.64869968, 6.26182973 ] ]

agm003487854

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

[ "Si", "Bi", "Bi", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd" ]

2023-11-16 06:57:59

[ 0.2222222222222222, 0.6666666666666666, 0.1111111111111111 ]

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-47.367059

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0

3.11812

pbe

true

405c058ef9ea8899149001a1ce40eb7f_71_Si1Bi2Pd6

[ "Bi", "Pd", "Sm" ]

4

A2BC

Bi2PdSm

Sm1 Bi2 Pd1

3

[ 1, 1, 1 ]

3

[ [ 4.2850172, 0, 0 ], [ 0, 4.89196837, 0 ], [ 0, 0, 4.89196837 ] ]

agm001219510

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[ "Pd", "Bi", "Bi", "Sm" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

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1.437633

pbe

true

680fe77091c91707ee1d2535dc7165fe_123_Sm1Bi2Pd1

[ "Bi", "Li", "Na" ]

5

A3BC

Bi3LiNa

Na1 Li1 Bi3

3

[ 1, 1, 1 ]

3

[ [ 5.5756752, 0, 0 ], [ 0, 5.5756752, 0 ], [ 0, 0, 5.5756752 ] ]

agm002514055

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

[ "Na", "Bi", "Bi", "Bi", "Li" ]

2023-11-16 06:57:59

[ 0.6, 0.2, 0.2 ]

[ [ 0.16300319, 0, 0 ], [ 0, 0.16300319, 0 ], [ 0, 0, 0.16300319 ] ]

-12.807415

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0

3.035361

pbe

true

9c31acaa147e514f089d32af0603affd_221_Na1Li1Bi3

[ "C", "Ce", "O", "P", "Sr" ]

21

A13B3C3DE

C3CeO13PSr3

Sr3 Ce1 P1 C3 O13

5

[ 1, 1, 1 ]

3

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agm003227252

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[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}]

[ "Sr", "Sr", "Sr", "Ce", "P", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

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-160.156942

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1.000013

8.507699

pbe

true

527937398a45ad9dc229e5931677de58_160_Sr3Ce1P1C3O13

[ "C", "Cl", "Co", "O", "Sn" ]

84

A8B8C2D2E

C8Cl2Co2O8Sn

C32 Cl8 Co8 O32 Sn4

5

[ 1, 1, 1 ]

3

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mp-653922

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2014-03-01 02:02:08

[ 0.38095238095238093, 0.09523809523809523, 0.09523809523809523, 0.38095238095238093, 0.047619047619047616 ]

[]

-576.749638

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[]

0

-0.409006

pbe

true

94acce2f8b8634086b2f8e70e2b882c4_14_Co8Sn4C32Cl8O32

[ "C", "Cl", "Dy", "H", "O" ]

68

A17B7C6D3E

C6Cl3DyH17O7

C6 Cl3 Dy1 H17 O7

5

[ 1, 1, 1 ]

3

[ [ 6.956260523, 0, 0 ], [ 3.348654206, 7.945691205, 0 ], [ 2.775952652, 3.339727598, 11.513826915 ] ]

oqmd-9918188

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2024-11-01 00:00:00

[ 0.17647058823529413, 0.08823529411764706, 0.029411764705882353, 0.5, 0.2058823529411765 ]

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-370.577

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0.002404

null

pbe

true

ded237aacb93b72d109ae15ffd3ddd85_2_Dy2H34C12Cl6O14

[ "Pu", "Si", "Y" ]

3

ABC

PuSiY

Y1 Pu1 Si1

3

[ 1, 1, 1 ]

3

[ [ 3.63116308, 0, 0 ], [ 0, 4.78455417, 0 ], [ 0, -2.39227708, 4.14354545 ] ]

agm001261131

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

[ "Y", "Si", "Pu" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 3.400553, 0, 0 ], [ 0, 3.2438715, 0 ], [ 0, 0, 3.2438715 ] ]

-26.639112

[ 0.192, -0.06, 5.434 ]

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5.956984

6.12554

pbe

true

a207e811f15daaa8746a3a0045d1e9c1_156_Y1Pu1Si1

[ "Pu", "Si", "Zn" ]

3

ABC

PuSiZn

Pu1 Si1 Zn1

3

[ 1, 1, 1 ]

3

[ [ 2.232982, 1.289213, 3.646445 ], [ -2.232982, 1.289213, 3.646445 ], [ 0, -2.578426, 3.646445 ] ]

oqmd-4605520

[ [ 5.578424328381841e-17, -3.1998861191464386e-17, 8.204499999999996 ], [ -1.639845108626355e-17, 3.1630158933265224e-17, 2.7348299999999988 ], [ 0, 0, 0 ] ]

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

[ "Pu", "Si", "Zn" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 13.46906, 0, 0 ], [ 0, 13.46907, 0 ], [ 0, 0, 13.46907 ] ]

-21.1562

[ 5.338, -0.03, 0.073 ]

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

5.72003

null

pbe

true

0aa638b9c9f9aecfbfb87c216a04bdbe_216_Pu1Zn1Si1

[ "C", "Cl", "Eu", "H", "N" ]

104

A32B8C7D4E

C8Cl7EuH32N4

C16 Cl14 Eu2 H64 N8

5

[ 1, 1, 1 ]

3

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mp-863015

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2014-10-19 23:35:51

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mp-559455

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2014-02-14 01:34:00

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0

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mp-555503

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2014-03-06 08:53:11

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mp-555625

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2014-03-07 04:25:50

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mp-557900

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2014-03-07 10:00:08

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mp-603940

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2013-05-24 15:46:34

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2023-11-16 06:57:59

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2019-04-18 21:53:44

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0

-0.452364

pbe

true

09930a6bb0cfde5c1d7263df087f6527_61_In8H96C32Se16Cl24

[ "C", "Cl", "H", "Li", "O" ]

68

A20B8C4DE

C8ClH20LiO4

C16 Cl2 H40 Li2 O8

5

[ 1, 1, 1 ]

3

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mp-738610

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2014-01-17 12:02:14

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2023-11-16 06:57:59

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oqmd-3502454

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2024-11-01 00:00:00

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2024-11-01 00:00:00

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2023-11-16 06:57:59

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2014-03-07 05:03:14

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mp-703293

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2013-12-23 00:52:24

[ 0.03571428571428571, 0.6428571428571429, 0.03571428571428571, 0.10714285714285714, 0.17857142857142858 ]

[]

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[]

0

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78

A24B8C4D2E

C8Cl4H24N2Pd

C16 Cl8 H48 N4 Pd2

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mp-707284

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2013-12-22 09:18:16

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[]

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[]

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true

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[ "C", "Cl", "H", "N", "Pt" ]

29

A16B6C4D2E

C4Cl6H16N2Pt

C4 Cl6 H16 N2 Pt1

5

[ 1, 1, 1 ]

3

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mp-684919

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2013-10-22 04:37:51

[ 0.13793103448275862, 0.20689655172413793, 0.5517241379310345, 0.06896551724137931, 0.034482758620689655 ]

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[]

0

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pbe

true

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[ "Co", "K", "Pt" ]

4

A2BC

Co2KPt

K1 Co2 Pt1

3

[ 1, 1, 1 ]

3

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agm003861807

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[ "Co", "Co", "K", "Pt" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

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-17.333075

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3.940965

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true

64faec049ff70e9ebb2a1075cb1bebd4_119_K1Co2Pt1

[ "C", "Cl", "H", "N", "S" ]

80

A5B2CDE

CClH5N2S

C8 Cl8 H40 N16 S8

5

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3

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mp-560045

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2014-03-07 10:40:59

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2014-02-23 14:29:45

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2014-10-19 23:07:39

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[]

0

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pbe

true

a36f6b23dc720a8fda94f160a7c3f58a_18_Sm2H64C16N8Cl14

[ "C", "Cl", "H", "N", "Sn" ]

58

A16B6C4D2E

C4Cl6H16N2Sn

C8 Cl12 H32 N4 Sn2

5

[ 1, 1, 1 ]

3

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mp-570712

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2014-02-18 09:22:07

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[]

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[]

0

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true

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[ "Se", "W" ]

10

A7B3

Se7W3

W3 Se7

2

[ 1, 1, 1 ]

3

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agm2000050480

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[ "Se", "Se", "Se", "Se", "Se", "Se", "Se", "W", "W", "W" ]

2023-11-16 06:57:59

[ 0.7, 0.3 ]

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true

304aca7e277374964ca9203b7c5442a3_183_W3Se7

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AB

SeY

Y2 Se2

2

[ 1, 1, 1 ]

3

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[ "Se", "Se", "Y", "Y" ]

2023-11-16 06:57:59

[ 0.5, 0.5 ]

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0.000019

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true

fe708402a3e661079e8bf99999cdb1c0_166_Y2Se2

[ "Co", "La", "Mo" ]

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CoLaMo2

La1 Co1 Mo2

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agm004104042

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[ "Co", "La", "Mo", "Mo" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

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A18B6C3D3E

C6Cl3H18RuS3

C24 Cl12 H72 Ru4 S12

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mp-759409

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2019-01-12 02:23:12

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3.568

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pbe

true

48a64b4160c16d3ef99d0b2fe2780791_33_H72Ru4C24S12Cl12

[ "Co", "La", "Nd" ]

3

ABC

CoLaNd

La1 Nd1 Co1

3

[ 1, 1, 1 ]

3

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agm001842718

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[ "Nd", "Co", "La" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

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-16.754202

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0.345576

3.4981

pbe

true

dfa6a7f91f6a410a310336ab475cc657_107_La1Nd1Co1

[ "C", "Cl", "In", "O", "Re" ]

192

A10B10C2DE

C10ClInO10Re2

C80 Cl8 In8 O80 Re16

5

[ 1, 1, 1 ]

3

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mp-651806

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2014-02-27 16:13:58

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[]

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[ "C", "Cl", "Mg", "Na", "O" ]

52

A6B3C2DE

C2ClMgNa3O6

C8 Cl4 Mg4 Na12 O24

5

[ 1, 1, 1 ]

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mp-566231

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[ "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Mg", "Mg", "Mg", "Mg", "C", "C", "C", "C", "C", "C", "C", "C", "Cl", "Cl", "Cl", "Cl", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2014-02-18 06:15:56

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[]

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[]

0

0.872328

pbe

true

c19a6206ff0186bf0f31f89950a26501_227_Na12Mg4C8Cl4O24

[ "Si", "Tm" ]

6

A5B

SiTm5

Tm5 Si1

2

[ 1, 1, 1 ]

3

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agm001192730

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

[ "Si", "Tm", "Tm", "Tm", "Tm", "Tm" ]

2023-11-16 06:57:59

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-28.617765

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-0.000152

6.579455

pbe

true

3a452657af3fe75ce0d5db3d9c9da2be_65_Tm5Si1

[ "C", "Cl", "N", "O", "Ru" ]

40

A8B5C3D2E2

C2Cl3N8O5Ru2

C4 Cl6 N16 O10 Ru4

5

[ 1, 1, 1 ]

3

[ [ 0, 0, 7.34692761 ], [ 7.76639348, 0, 0 ], [ 0, 16.56880574, 0 ] ]

mp-1204138

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[ "Ru", "Ru", "Ru", "Ru", "C", "C", "C", "C", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2019-01-12 07:52:00

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-266.459713

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1.59

-1.32185

pbe

true

3f632341c546740bac6167c39f118086_34_Ru4C4N16Cl6O10

[ "C", "Cl", "N", "O", "Sb" ]

48

A4BCDE

CCl4NOSb

C6 Cl24 N6 O6 Sb6

5

[ 1, 1, 1 ]

3

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mp-557961

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

[ "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "C", "C", "C", "C", "C", "C", "N", "N", "N", "N", "N", "N", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "O", "O", "O", "O", "O", "O" ]

2014-03-06 04:31:45

[ 0.125, 0.5, 0.125, 0.125, 0.125 ]

[]

-233.816308

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[]

0

-1.556624

pbe

true

ffb755501e353ff5ed03a0fd3a18aa41_176_Sb6C6N6Cl24O6

[ "C", "Cl", "N", "O", "Se" ]

28

A2B2CDE

C2ClNO2Se

C8 Cl4 N4 O8 Se4

5

[ 1, 1, 1 ]

3

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mp-1192990

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2019-01-11 22:53:49

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CoLa2Pb

La2 Co1 Pb1

3

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3

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agm004200752

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[ "Co", "La", "La", "Pb" ]

2023-11-16 06:57:59

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1.012585

3.087969

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true

29ae6ca206a164963d1f1fd7d44874ec_123_La2Co1Pb1

[ "C", "Cl", "N", "Pb", "S" ]

44

A4B2C2D2E

C2Cl2N4PbS2

C8 Cl8 N16 Pb4 S8

5

[ 1, 1, 1 ]

3

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mp-1198665

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2019-01-12 03:24:21

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2.412

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pbe

true

91f2d5a5a71cc4d2ed7f7f7dbdf17a5d_33_Pb4C8S8N16Cl8

[ "C", "Cl", "N", "S", "Sn" ]

28

A2B2CDE

CCl2N2SSn

C4 Cl8 N8 S4 Sn4

5

[ 1, 1, 1 ]

3

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mp-1193396

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2019-01-11 23:12:47

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-145.03885

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5.492

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pbe

true

03ad2ff7edee290ac78c3a3685b8d316_14_Sn4C4S4N8Cl8

[ "Bi", "Pd", "Sm" ]

12

A9B2C

BiPd9Sm2

Sm2 Bi1 Pd9

3

[ 1, 1, 1 ]

3

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agm005888132

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2023-11-16 06:57:59

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Bi4Pd9Sr

Sr2 Bi8 Pd18

3

[ 1, 1, 1 ]

3

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2023-11-16 06:57:59

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2023-11-16 06:57:59

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[ "Np", "Pb", "Pb", "Bi" ]

2023-11-16 06:57:59

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[ "C", "Co", "H", "Li", "O" ]

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C2CoH8Li2O10

C4 Co2 H16 Li4 O20

5

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3

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mp-770598

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2014-02-17 20:02:48

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[]

-267.852948

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[]

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69

A30B28C6D4E

C28CoH30N4O6

C28 Co1 H30 N4 O6

5

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3

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oqmd-9945330

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2024-11-01 00:00:00

[ 0.4057971014492754, 0.014492753623188406, 0.43478260869565216, 0.057971014492753624, 0.08695652173913043 ]

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2019-01-13 02:41:32

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2023-11-16 06:57:59

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2014-07-05 09:07:20

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2014-02-18 01:28:06

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2014-06-26 13:27:46

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2014-01-20 02:09:25

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mp-1196843

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[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}]

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2019-01-12 01:56:19

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2013-12-14 05:44:35

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[]

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10.016

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CCrK3O7P

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mp-774255

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2020-06-03 11:48:48

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-343.820018

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3

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[ "Ru", "As", "As", "Pm" ]

2023-11-16 06:57:59

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[ "Tm", "Tm", "Bi", "Bi", "S", "S", "S", "S", "S", "S", "S" ]

2023-11-16 06:57:59

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2013-06-06 06:17:23

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2013-05-22 17:21:27

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2014-02-17 08:28:24

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

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2019-01-12 06:48:39

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pbe

true

3e825ad6577d67b6b097ee41b629fee0_2_Li2Cu4Si24H162C54

[ "C", "Cu", "H", "N", "O" ]

64

A6B4C3D2E

C3Cu2H6N4O

C12 Cu8 H24 N16 O4

5

[ 1, 1, 1 ]

3

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mp-697660

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2014-05-03 19:24:37

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2014-06-05 15:58:37

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2023-11-16 06:57:59

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C2Cu2H10O20U3

C2 Cu2 H10 O20 U3

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mp-705486

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2014-06-05 13:48:39

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[]

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true

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5

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mp-640925

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2013-06-25 16:43:31

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[]

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[]

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C8 Cu4 Li8 O32 S2

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mp-776330

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

[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Cu", "Cu", "Cu", "Cu", "C", "C", "C", "C", "C", "C", "C", "C", "S", "S", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2014-02-21 18:52:57

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