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[
"Al",
"Ca",
"Hg",
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] | 4 | ABCD | AlCaHgSm | Ca1 Sm1 Al1 Hg1 | 4 | [
1,
1,
1
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[
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1
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] | 2023-11-16 06:57:59 | [
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] | -0.00009 | 0 | pbe | true | 2c6af7c00d4a6ba573a8d4ec1c5e5770_2_Sc2H22Br4O12 |
[
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1,
1,
1
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[
-0.00087418,
0.00057779,
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],
[
-0.00063326,
0.00041856,
0.00199979
],
[
-0.00063326,
0.00041856,
-0.00199979
],
[
0.00504118,
-0.00333199,
0
]
] | -0.000085 | 28.240995 | pbe | true | 1784d6c3ade80754b49480e09ba86725_38_Hg1Pd14Se1 |
[
"Ho",
"N",
"Tm"
] | 4 | A2BC | Ho2NTm | Ho2 Tm1 N1 | 3 | [
1,
1,
1
] | 3 | [
[
3.45276789,
0,
0
],
[
1.72638394,
2.9901847,
0
],
[
1.72638394,
0.99672823,
8.87279491
]
] | agm001973760 | [
[
3.452767885,
1.993456465,
4.436397455
],
[
1.7263856864716403,
0.9967292395193732,
1.356142019318606
],
[
5.17915008352836,
2.9901836904806265,
7.516652890681393
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}] | [
"Tm",
"Ho",
"Ho",
"N"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
0.07637107,
0,
0
],
[
0,
0.07637107,
0
],
[
0,
0,
0.39650625
]
] | -25.088514 | [
0.001,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
-0.00054185
],
[
0,
0,
0.00054185
],
[
0,
0,
0
]
] | 0.000831 | 3.891005 | pbe | true | ce5dd7b8793756add5ef9ac2eae9d599_166_Ho2Tm1N1 |
[
"I",
"Nd",
"Y"
] | 14 | A5BC | I5NdY | Nd2 Y2 I10 | 3 | [
1,
1,
1
] | 3 | [
[
4.10527888,
-1e-8,
0
],
[
0.00000109,
18.55325413,
0
],
[
0,
0,
20.33659886
]
] | agm2000142328 | [
[
8.175e-7,
13.9149405975,
10.492853448232616
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[
2.725e-7,
4.6383135325,
9.843745615133374
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[
2.052640529999989,
18.553253939467456,
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2.052639943947211,
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0.0000010240066149,
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5.200594037e-7,
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2.0526403688243704,
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4.105278945993385,
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[
6.520461739e-7,
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12.11385100143905
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[
2.0526402575000002,
13.914940592499999,
12.836598879206282
],
[
2.0526397125,
4.638313527499999,
7.499999980793718
]
] | [{"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Nd",
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"Y",
"Y",
"I",
"I",
"I",
"I",
"I",
"I",
"I",
"I",
"I",
"I"
] | 2023-11-16 06:57:59 | [
0.7142857142857143,
0.14285714285714285,
0.14285714285714285
] | [
[
0.10788943,
1e-8,
0
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[
1e-8,
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0
],
[
0,
0,
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]
] | -56.398959 | [
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0.046,
0.046,
0.001,
0.001,
0,
0,
0,
0,
0.001,
0.001,
0,
0
] | [
[
0,
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[
0,
0,
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[
0,
0,
0
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[
0,
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[
0,
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[
0,
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[
0,
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[
0,
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[
0,
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[
0,
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[
0,
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[
0,
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],
[
0,
0,
0.00315952
],
[
0,
0,
-0.00315952
]
] | 0.156631 | 4.751719 | pbe | true | 3b9ad666a7c1545c3a8f3a90f6705dfc_51_Nd2Y2I10 |
[
"In",
"P",
"Sb"
] | 16 | A3B3C2 | In3P3Sb2 | In6 Sb4 P6 | 3 | [
1,
1,
1
] | 3 | [
[
7.32266364,
2.5e-7,
0
],
[
0.00000224,
8.70241638,
0
],
[
0,
0,
19.37763674
]
] | agm2000092104 | [
[
5.529444578927072,
6.511806897214367,
7.436721330503927
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[
1.7932262943600394,
6.511807726923501,
7.436723655820336
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[
1.8681111995670074,
2.1605976249485495,
7.436721330503927
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[
5.454558092762072,
2.16060932160572,
7.4367255935840095
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[
0.0000070251069584,
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10.470418060777044
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[
3.6613358212143665,
1.3204463062632514,
10.470416898118838
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[
5.803328235997581,
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11.81435580086705
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[
1.5193457866377087,
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2.1419992502368435,
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[
4.805638130200508,
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[
2.5170400032360942,
4.398969399654872,
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[
1.1443021879076765,
0.047761858982151705,
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[
6.178367627717836,
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[
0.0000068818203844000005,
1.9856389608170337,
9.693798616418547
],
[
3.6613362337153803,
6.336847972010222,
9.69379687243124
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"In",
"In",
"In",
"In",
"In",
"In",
"Sb",
"Sb",
"Sb",
"Sb",
"P",
"P",
"P",
"P",
"P",
"P"
] | 2023-11-16 06:57:59 | [
0.375,
0.375,
0.25
] | [
[
0.7243682,
2.2e-7,
1e-8
],
[
2.2e-7,
0.7578451,
0.02843535
],
[
1e-8,
0.02843531,
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]
] | -60.62405 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
-0.0093326,
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0.00225988
],
[
0.0093326,
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0.00225988
],
[
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[
0.0093326,
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[
0,
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[
0,
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[
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[
0.00239203,
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[
-0.00239203,
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[
0.00239203,
0.00216825,
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[
-0.00229277,
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[
0.00229278,
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[
-0.00229277,
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[
0.00229278,
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],
[
0,
-0.00551459,
-0.00228428
],
[
0,
-0.00551459,
-0.00228428
]
] | 0 | 1.762779 | pbe | true | 33c324f71f95a1269835964f6943bf4b_8_In6Sb4P6 |
[
"La",
"Pb",
"Ta"
] | 4 | A2BC | LaPbTa2 | La1 Ta2 Pb1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.53347518,
3.53347518
],
[
3.53347518,
0,
3.53347518
],
[
3.53347518,
3.53347518,
0
]
] | agm002690297 | [
[
3.53347518,
3.53347518,
3.53347518
],
[
0,
0,
0
],
[
1.76673759,
1.76673759,
1.76673759
],
[
5.30021277,
5.30021277,
5.30021277
]
] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}] | [
"Pb",
"La",
"Ta",
"Ta"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
5.2377987,
0,
0
],
[
0,
5.2377987,
0
],
[
0,
0,
5.2377987
]
] | -29.566645 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000003 | 4.013573 | pbe | true | ac81a39a25c7db5ad257ce1860157063_225_La1Ta2Pb1 |
[
"Li",
"Pt",
"Tc"
] | 6 | ABC | LiPtTc | Li2 Tc2 Pt2 | 3 | [
1,
1,
1
] | 3 | [
[
3.65313779,
-2.10914009,
0
],
[
0,
4.21828018,
0
],
[
0,
0,
5.41729576
]
] | agm003096532 | [
[
1.2177125844895407,
2.109140111091401,
4.747647904256866
],
[
2.4354252055104593,
-2.1091401101365897e-8,
0.0457278268938208
],
[
2.4354252055104593,
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2.8500078248476344
],
[
0,
0,
1.0682736052173984
],
[
1.2177125844895407,
2.109140111091401,
1.9974831697032078
],
[
0,
0,
3.6979952239282725
]
] | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"Tc",
"Tc",
"Pt",
"Pt",
"Li",
"Li"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
4.8558145,
0,
0
],
[
0,
4.8558145,
0
],
[
0,
0,
5.1063514
]
] | -37.485006 | [
-0.001,
0.001,
0,
0,
0,
0
] | [
[
0,
0,
-0.0010385
],
[
0,
0,
0.00549037
],
[
0,
0,
-0.00444347
],
[
0,
0,
0.00192173
],
[
0,
0,
-0.00840206
],
[
0,
0,
0.00647193
]
] | 0.000246 | 2.676848 | pbe | true | f0944eb76f012dfab50a8869cacec89c_156_Li2Tc2Pt2 |
[
"Mo",
"Tl",
"W"
] | 5 | A3BC | Mo3TlW | Tl1 Mo3 W1 | 3 | [
1,
1,
1
] | 3 | [
[
4.80134498,
0,
0
],
[
0,
4.80134498,
0
],
[
0,
0,
4.80134498
]
] | agm002530893 | [
[
2.40067249,
2.40067249,
2.40067249
],
[
0,
2.40067249,
0
],
[
0,
0,
2.40067249
],
[
2.40067249,
0,
0
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"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"]}] | [
"Tl",
"Mo",
"Mo",
"Mo",
"W"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
7.3650813,
0,
0
],
[
0,
7.3650813,
0
],
[
0,
0,
7.3650813
]
] | -39.298417 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 5.762687 | pbe | true | 153a408b7471acef3226b18a264b90a7_221_Tl1Mo3W1 |
[
"Pb",
"Rh",
"Tl"
] | 4 | A2BC | PbRhTl2 | Tl2 Rh1 Pb1 | 3 | [
1,
1,
1
] | 3 | [
[
3.71860743,
0,
0
],
[
0,
5.0631059,
0
],
[
0,
0,
5.12942234
]
] | agm004128298 | [
[
0,
0,
0
],
[
1.859303715,
2.53155295,
0
],
[
0,
2.53155295,
2.56471117
],
[
1.859303715,
0,
2.56471117
]
] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Tl",
"Tl",
"Rh",
"Pb"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
7.876685,
0,
0
],
[
0,
7.7415204,
0
],
[
0,
0,
7.871853
]
] | -14.532913 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000001 | 2.445514 | pbe | true | ef0311f5a2625c25bda1d2b9938d6e58_47_Tl2Rh1Pb1 |
[
"C",
"Ce",
"Re",
"Si"
] | 7 | A2B2C2D | CCe2Re2Si2 | C1 Ce2 Re2 Si2 | 4 | [
1,
1,
1
] | 3 | [
[
2.05468558,
5.52594876,
0.00262328
],
[
-2.05468558,
5.52594876,
0.00262328
],
[
0,
4.33905926,
5.5167426
]
] | mp-1025285 | [
[
0,
6.039841389964861,
1.6486994339188834
],
[
0,
9.35111539003514,
3.8732897260811163
],
[
0,
9.165623512486453,
0.5201043678120708
],
[
0,
6.225333267513547,
5.001884792187929
],
[
0,
12.442792697573182,
3.802176462345913
],
[
0,
2.9481640824268194,
1.7198126976540868
],
[
0,
0,
0
]
] | [{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"Ce",
"Ce",
"Re",
"Re",
"Si",
"Si",
"C"
] | 2023-02-16 03:44:49 | [
0.14285714285714285,
0.2857142857142857,
0.2857142857142857,
0.2857142857142857
] | [
[
-0.0249775,
0,
0
],
[
0,
0.00439661,
-0.00815863
],
[
0,
-0.00817086,
-0.1482467
]
] | -60.730361 | [
0.318,
0.318,
-0.011,
-0.011,
-0.001,
-0.001,
0.001
] | [
[
0,
0.00036172,
0.00026649
],
[
0,
-0.00036172,
-0.00026649
],
[
0,
-0.0005969,
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],
[
0,
0.0005969,
0.00441431
],
[
0,
0.00138213,
0.00363368
],
[
0,
-0.00138213,
-0.00363368
],
[
0,
0,
0
]
] | 0.613 | 8.053036 | pbe | true | e99c3d218f56a013112058260c46de42_12_Ce2Re2Si2C1 |
[
"Ge",
"Hf",
"Na",
"O",
"P"
] | 108 | A12B3CDE | GeHfNaO12P3 | Ge6 Hf6 Na6 O72 P18 | 5 | [
1,
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[
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[
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[
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2.60851879
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[
2.859602237367195,
2.080055416665495,
7.825556370000001
],
[
2.2768862026328054,
8.498529303334506,
2.60851879
]
] | [{"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}] | [
"Ac",
"Ac",
"Ac",
"Ac",
"Ac",
"Ac",
"La",
"La",
"Mg",
"Mg"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
0.25562385,
0.0143276,
0
],
[
0.01432774,
0.09508611,
0
],
[
0,
0,
0.35538766
]
] | -36.16843 | [
0,
0,
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0,
0,
0,
0,
0,
0,
0
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[
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[
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[
0.0104079,
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0
],
[
-0.0104079,
0.00058508,
0
]
] | 0 | 13.345037 | pbe | true | 0abd41deae44b962bc3c5de15f52e303_11_Ac6La2Mg2 |
[
"Ag",
"As",
"Ta"
] | 8 | A2BC | Ag2AsTa | Ta2 Ag4 As2 | 3 | [
1,
1,
1
] | 3 | [
[
7.60560251,
0,
0
],
[
0,
7.60560251,
0
],
[
3.80280125,
3.80280125,
2.622202
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] | agm002791747 | [
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[
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] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"As",
"As",
"Ag",
"Ag",
"Ag",
"Ag",
"Ta",
"Ta"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
4.1688175,
0,
0
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[
0,
4.1688175,
0
],
[
0,
0,
1.887798
]
] | -40.947985 | [
0,
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0,
0,
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[
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[
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[
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[
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[
0,
-0.00857614,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0 | 2.549094 | pbe | true | fdcbb293e6dd835bbcca4aee731efde3_122_Ta2Ag4As2 |
[
"Al",
"Cu",
"Sb"
] | 8 | A2BC | AlCuSb2 | Al2 Cu2 Sb4 | 3 | [
1,
1,
1
] | 3 | [
[
6.12387425,
0,
0
],
[
0,
6.12387425,
0
],
[
3.06193712,
3.06193712,
5.91724985
]
] | agm002787436 | [
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[
0,
0,
0
],
[
6.1238742475,
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]
] | [{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}] | [
"Sb",
"Sb",
"Sb",
"Sb",
"Al",
"Al",
"Cu",
"Cu"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
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0,
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[
0,
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[
0,
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] | -31.119552 | [
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[
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[
0,
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[
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 4.037613 | pbe | true | 77bad75252b14f3e824c94807dcf9c60_122_Al2Cu2Sb4 |
[
"As",
"Ga",
"O"
] | 12 | A4BC | AsGaO4 | Ga2 As2 O8 | 3 | [
1,
1,
1
] | 3 | [
[
4.6371856,
0.23905092,
-0.00035415
],
[
0.23959933,
4.45615608,
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],
[
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]
] | agm002173234 | [
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] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"As",
"As",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"Ga",
"Ga"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.16666666666666666,
0.6666666666666666
] | [
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0.22276288,
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0.020809
],
[
-0.02691155,
0.02080883,
1.3275489
]
] | -71.1246 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00147235,
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[
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[
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[
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[
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[
-0.00014086,
-0.00176335,
-0.00075721
],
[
0.00014086,
0.00176335,
0.00075721
]
] | 0 | 0 | pbe | true | 60087f7d706d882a64b262090d0ffad2_15_Ga2As2O8 |
[
"Au",
"Hg",
"La"
] | 8 | A3B3C2 | Au2Hg3La3 | La3 Hg3 Au2 | 3 | [
1,
1,
1
] | 3 | [
[
3.97510411,
0,
0
],
[
0,
6.92355869,
-3.99731864
],
[
0,
0,
7.99463728
]
] | agm005578850 | [
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1.987552055,
2.8024091097244193,
1.6179717213038065
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[
1.987552055,
4.12114958027558,
5.615290361303806
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4.7586938373923875
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[
0,
2.30785058881377,
3.99732263731864
],
[
0,
4.61570810118623,
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}] | [
"La",
"La",
"La",
"Hg",
"Hg",
"Hg",
"Au",
"Au"
] | 2023-11-16 06:57:59 | [
0.25,
0.375,
0.375
] | [
[
3.8424063,
0,
0
],
[
0,
3.8858848,
0
],
[
0,
0,
3.8858852
]
] | -27.390473 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0.00572435,
0.00330496
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[
0,
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[
0,
0,
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[
0,
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[
0,
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[
0,
0,
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[
0,
0,
0
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[
0,
0,
0
]
] | -0.000124 | 8.194355 | pbe | true | 20504e847bb99c323cd79a52dc4d6a59_189_La3Hg3Au2 |
[
"Au",
"Os",
"Sn"
] | 5 | A3BC | Au3OsSn | Sn1 Os1 Au3 | 3 | [
1,
1,
1
] | 3 | [
[
5.09406659,
0,
0
],
[
0,
5.09406659,
0
],
[
0,
0,
5.09406659
]
] | agm002606142 | [
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2.547033295,
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2.547033295
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[
0,
2.547033295,
0
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[
0,
0,
2.547033295
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[
2.547033295,
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[
0,
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0
]
] | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}] | [
"Os",
"Au",
"Au",
"Au",
"Sn"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
5.552282,
0,
0
],
[
0,
5.552282,
0
],
[
0,
0,
5.552282
]
] | -16.837427 | [
3.061,
0.036,
0.073,
0.049,
0.052
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
]
] | 3.681948 | 8.025987 | pbe | true | 41ed0628e16f1603d2d098ae4c39813d_221_Sn1Os1Au3 |
[
"B",
"Br",
"Tm"
] | 20 | A12B7C | BBr12Tm7 | Tm7 B1 Br12 | 3 | [
1,
1,
1
] | 3 | [
[
8.51562684,
-0.1864331,
-2.59438707
],
[
-3.45191663,
7.78684273,
-2.59438713
],
[
-0.12420943,
-0.18643315,
8.90119722
]
] | agm005803283 | [
[
5.730493279585096,
5.057299149915859,
3.6719534557541884
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[
2.2446016695613196,
0.7405935104241743,
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3.2643190942202502,
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4.549043638473849
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[
1.6751816857797495,
3.5520418294054448,
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[
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[
1.5313812997348266,
6.357638407740738,
1.8706734113534011
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[
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5.796400810131117,
5.39715083555905
],
[
-1.744330531261618,
5.285863718137032,
0.03304182419635522
]
] | [{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}] | [
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"B",
"Br",
"Br",
"Br",
"Br",
"Br",
"Br",
"Br",
"Br",
"Br",
"Br",
"Br",
"Br"
] | 2023-11-16 06:57:59 | [
0.05,
0.6,
0.35
] | [
[
0.1878419,
0.11799245,
0.05908277
],
[
0.11799249,
0.28633195,
0.08868058
],
[
0.05908268,
0.08868064,
0.15363571
]
] | -88.861044 | [
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0.005,
0.005,
0.002,
0.005,
0.005,
0.005,
-0.001,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00553281,
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[
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[
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[
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[
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[
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[
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[
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[
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[
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[
-0.00444989,
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-0.00052041
],
[
0.00004945,
0.0041458,
-0.00170077
]
] | 0.044929 | 12.169778 | pbe | true | 8c946ff3d3148b0531dcc3d3eae94223_148_Tm7B1Br12 |
[
"Br",
"K",
"Rb"
] | 12 | A6B5C | Br6KRb5 | K1 Rb5 Br6 | 3 | [
1,
1,
1
] | 3 | [
[
8.41991002,
0.20515745,
1.27906588
],
[
2.0678916,
7.13745198,
4.16095402
],
[
0.14116915,
0.07449477,
8.51796189
]
] | agm006120395 | [
[
0,
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0
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[
6.563455434073506,
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4.084383809001622
],
[
3.3416224029488517,
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[
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1.7959650861982344,
1.3324115390280384
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[
7.90948563448048,
5.546644343801765,
4.107608360971962
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[
7.287348367051148,
3.117647192475656,
8.40053829046896
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[
4.065515335926493,
6.654669620130309,
9.87359798099838
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[
4.651036030621607,
1.3508961096199277,
6.99494036303549
],
[
9.156326020324856,
2.6093839933520275,
5.50492111730709
],
[
5.2439008099999995,
3.6713047149999998,
2.72000995
],
[
1.472644749675143,
4.807720206647972,
8.45306067269291
],
[
5.977934739378393,
6.066208090380072,
6.9630414269645104
]
] | [{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}] | [
"K",
"Br",
"Br",
"Br",
"Br",
"Br",
"Br",
"Rb",
"Rb",
"Rb",
"Rb",
"Rb"
] | 2023-11-16 06:57:59 | [
0.5,
0.08333333333333333,
0.4166666666666667
] | [
[
0.35221606,
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[
0.02396567,
0.35891625,
0.01832088
],
[
0.01591101,
0.01832088,
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]
] | -36.939035 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
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[
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[
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[
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[
-0.00010262,
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[
0.00024326,
0.00095209,
-0.00175406
]
] | 0.000185 | 0 | pbe | true | c95356613f4ad7d809ab8f934a15e274_12_K1Rb5Br6 |
[
"Ca",
"La",
"Pt"
] | 4 | A2BC | Ca2LaPt | Ca2 La1 Pt1 | 3 | [
1,
1,
1
] | 3 | [
[
7.61789164,
0.08951867,
-0.00767696
],
[
5.02192081,
5.72892645,
0.00767689
],
[
-5.90161089,
-3.81790835,
2.93852145
]
] | agm004313705 | [
[
0.9302387522833286,
0.4282138797603616,
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[
-0.5119434172833275,
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1.4730991525000001
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[
4.0180934875,
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1.4654222275
]
] | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"Ca",
"Ca",
"Pt",
"La"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
2.0407813,
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[
0.07647209,
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[
-0.05409163,
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1.9634545
]
] | -16.981012 | [
0,
0,
0,
0
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[
0.0063154,
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0
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[
-0.0063154,
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0
],
[
0,
0,
0
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[
0,
0,
0
]
] | -0.000019 | 3.490318 | pbe | true | caf8e9d4fb38c929ac59ac079fd2a502_71_Ca2La1Pt1 |
[
"Cu",
"F",
"O"
] | 10 | A3BC | Cu3FO | Cu6 O2 F2 | 3 | [
1,
1,
1
] | 3 | [
[
5.19144295,
0,
0
],
[
-1.2e-7,
9.01565522,
0
],
[
0,
0,
17.27944134
]
] | agm2000091718 | [
[
3.8908447250525535,
6.874011926949825,
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[
1.3005977823866157,
6.874012017106376,
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7.440172694073291
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[
2.5957214334516125,
3.1215494495188434,
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] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}] | [
"Cu",
"Cu",
"Cu",
"Cu",
"Cu",
"Cu",
"O",
"O",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
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0
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[
0,
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[
0,
0.06414335,
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] | -42.096188 | [
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0,
0,
0,
0,
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0,
0,
0,
0
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[
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[
0,
0.02004942,
0.00274303
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[
0,
0.02004942,
0.00274303
]
] | 0.000008 | -0.002657 | pbe | true | 814278519889ae471dcd8b7296fbd9ff_8_Cu6O2F2 |
[
"Eu",
"Li",
"N"
] | 4 | A2BC | Eu2LiN | Li1 Eu2 N1 | 3 | [
1,
1,
1
] | 3 | [
[
3.57749512,
0,
0
],
[
1.78874756,
3.09820166,
0
],
[
1.78874756,
1.03273389,
9.70873696
]
] | agm001958817 | [
[
1.7887493666350356,
1.0327349318736387,
6.2497467966643
],
[
5.366240873364965,
3.098200618126361,
3.458990163335699
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[
0,
0,
0
],
[
3.57749512,
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4.85436848
]
] | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}] | [
"Eu",
"Eu",
"Li",
"N"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
0.07429159,
0,
0
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[
0,
0.07429159,
0
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[
0,
0,
0.37010095
]
] | -32.728604 | [
6.863,
6.863,
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] | [
[
0,
0,
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[
0,
0,
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[
0,
0,
0
],
[
0,
0,
0
]
] | 14.207089 | 5.722688 | pbe | true | c934541ed76b2ee17c2e14ca9e62d778_166_Li1Eu2N1 |
[
"Ga",
"Os",
"W"
] | 4 | A2BC | GaOs2W | Ga1 Os2 W1 | 3 | [
1,
1,
1
] | 3 | [
[
3.03019038,
0,
0
],
[
0,
3.03019038,
0
],
[
0,
0,
6.3961554
]
] | agm001136553 | [
[
0,
0,
4.860676937133312
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[
0,
0,
1.535478462866688
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[
1.51509519,
1.51509519,
0
],
[
1.51509519,
1.51509519,
3.1980777
]
] | [{"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Os",
"Os",
"Ga",
"W"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
5.925839,
0,
0
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[
0,
5.925839,
0
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[
0,
0,
6.158267
]
] | -38.392164 | [
0,
0,
0,
0
] | [
[
0,
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[
0,
0,
0.00491946
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000002 | 1.973993 | pbe | true | 4274ed77a382a802612b22a3bf5c950a_123_Ga1Os2W1 |
[
"Cu",
"Te",
"Zr"
] | 6 | A4BC | Cu4TeZr | Zr1 Cu4 Te1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.61801873,
3.61801873
],
[
3.61801873,
0,
3.61801873
],
[
3.61801873,
3.61801873,
0
]
] | agm005436600 | [
[
0,
0,
0
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[
2.707916827803941,
4.528120596015872,
4.528120596015872
],
[
4.528120596015872,
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[
4.528120596015872,
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[
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2.707916827803941,
2.707916827803941
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[
5.427028095000001,
5.427028095000001,
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]
] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}] | [
"Zr",
"Cu",
"Cu",
"Cu",
"Cu",
"Te"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.16666666666666666,
0.16666666666666666
] | [
[
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0,
0
],
[
0,
-6.642541,
0
],
[
0,
0,
-6.642541
]
] | -28.045238 | [
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0.00837345,
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[
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[
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[
0.00837345,
0.00837345,
0.00837345
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[
0,
0,
0
]
] | 0.00002 | 5.356112 | pbe | true | 7300eb156af3ca65b60961dad24f53d6_216_Zr1Cu4Te1 |
[
"Er",
"Tm",
"Y"
] | 10 | A4B3C3 | Er3Tm4Y3 | Y3 Er3 Tm4 | 3 | [
1,
1,
1
] | 3 | [
[
3.67176264,
0,
0
],
[
0,
9.23101941,
-0.03985634
],
[
0,
0.04135083,
9.23101142
]
] | agm005685941 | [
[
1.83588132,
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1.558336222892279
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[
1.83588132,
3.0322941485908825,
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[
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[
0,
3.4702029112635455,
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[
0,
8.12162033242145,
8.026561852579356
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[
0,
1.1746715338591471,
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] | [{"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Y",
"Y",
"Y",
"Er",
"Er",
"Er",
"Tm",
"Tm",
"Tm",
"Tm"
] | 2023-11-16 06:57:59 | [
0.3,
0.4,
0.3
] | [
[
0.9655846,
0,
0
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[
0,
1.0983127,
0.00476086
],
[
0,
0.00476086,
1.0982286
]
] | -50.027015 | [
0.001,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
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[
0,
0.00232414,
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[
0,
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[
0,
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[
0,
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[
0,
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[
0,
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[
0,
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[
0,
-0.00166476,
-0.00083642
],
[
0,
0.00085103,
0.00165734
]
] | 0.005467 | 8.186989 | pbe | true | c232d2b7f85a0ecf5098ff739b8796a3_38_Y3Er3Tm4 |
[
"F",
"Li",
"N"
] | 10 | A6B3C | F3Li6N | Li6 N1 F3 | 3 | [
1,
1,
1
] | 3 | [
[
5.09856954,
0.32896038,
-2.31034772
],
[
-3.07226416,
4.58875063,
-0.9725689
],
[
0.22024613,
-0.32896139,
5.59326434
]
] | agm006014273 | [
[
0.5972997955659873,
4.588749933179538,
1.2923850381161752
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[
1.6182372706513248,
3.0638719371579626,
3.328310401883825
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[
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1.5248776828420376,
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[
1.6492517144340126,
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[
1.9464033275,
1.064946805,
2.79663217
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] | [{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}] | [
"Li",
"Li",
"Li",
"Li",
"Li",
"Li",
"N",
"F",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.3,
0.6,
0.1
] | [
[
1.4659353,
0.1717223,
0.18627138
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[
0.1717223,
1.3244212,
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],
[
0.18627138,
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1.2791194
]
] | -42.455443 | [
0,
0,
0,
0,
0.005,
0.005,
0.034,
0,
0,
0
] | [
[
-0.00284689,
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[
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[
0.00108458,
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.057153 | 0 | pbe | true | d743a7333664d6a8ba83ec4bf380d20e_139_Li6N1F3 |
[
"Ge",
"Os",
"Rb"
] | 8 | A2BC | GeOs2Rb | Rb2 Ge2 Os4 | 3 | [
1,
1,
1
] | 3 | [
[
4.87067278,
0,
0
],
[
0,
4.87067278,
0
],
[
2.43533639,
2.43533639,
8.70920717
]
] | agm002833883 | [
[
2.43533639,
2.43533639,
0
],
[
2.43533639,
4.87067278,
4.354603585
],
[
2.223523738080667,
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[
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[
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[
0,
0,
0
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[
4.87067278,
2.43533639,
4.354603585
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}] | [
"Ge",
"Ge",
"Os",
"Os",
"Os",
"Os",
"Rb",
"Rb"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
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0,
0
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[
0,
2.1019788,
0
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[
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0,
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] | -47.478344 | [
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[
0,
0,
0
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] | 0 | 4.18571 | pbe | true | 185bbe19c086ce75cdc8bebc8b0dc9ce_122_Rb2Ge2Os4 |
[
"I",
"Rh",
"Sb",
"Y"
] | 5 | A2BCD | I2RhSbY | Y1 Sb1 Rh1 I2 | 4 | [
1,
1,
1
] | 3 | [
[
5.84190611,
0,
0
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[
0,
5.84190611,
0
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[
0,
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] | [{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"I",
"I",
"Sb",
"Rh",
"Y"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
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[
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] | -18.870402 | [
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0,
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[
0,
0,
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[
0,
0,
0
]
] | 1.145073 | 4.125812 | pbe | true | 3759bbe1f02716a396fad00062893a5c_123_Y1Sb1Rh1I2 |
[
"La",
"Sc",
"Tb",
"Te"
] | 12 | A3BCD | LaScTbTe3 | La2 Tb2 Sc2 Te6 | 4 | [
1,
1,
1
] | 3 | [
[
4.35131023,
0,
0
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[
0,
8.96951828,
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[
0,
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] | agm005036443 | [
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] | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}] | [
"La",
"La",
"Tb",
"Tb",
"Sc",
"Sc",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
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0.5
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[
0,
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] | -65.930809 | [
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0.469,
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[
0,
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] | 1.905694 | 7.580787 | pbe | true | 0770166318d4c4143054934892fef522_11_La2Tb2Sc2Te6 |
[
"Ir",
"Tl"
] | 8 | AB | IrTl | Tl4 Ir4 | 2 | [
1,
1,
1
] | 3 | [
[
2.13429639,
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0
],
[
2.13429639,
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0
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[
0,
0,
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] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Tl",
"Tl",
"Tl",
"Tl",
"Ir",
"Ir",
"Ir",
"Ir"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
] | [
[
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0
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[
0,
4.8218446,
0
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[
0,
0,
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] | -41.034381 | [
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[
0,
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[
0,
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0
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[
0,
0,
0
]
] | -0 | 8.991847 | pbe | true | fcbf2b1aea63571be6974483cd811ebe_194_Tl4Ir4 |
[
"Li",
"Pt"
] | 10 | A4B | Li4Pt | Li8 Pt2 | 2 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
4.57250236,
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[
0,
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"Li",
"Li",
"Li",
"Li",
"Li",
"Li",
"Li",
"Li",
"Pt",
"Pt"
] | 2023-11-16 06:57:59 | [
0.8,
0.2
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0
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[
0,
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[
0,
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] | -30.397452 | [
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0,
0,
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[
0,
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[
0,
0,
0
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] | -0 | 2.916005 | pbe | true | 456f9165662f1d6dfae00fca7d5d3c51_55_Li8Pt2 |
[
"Pr",
"Te"
] | 9 | A5B4 | Pr4Te5 | Pr4 Te5 | 2 | [
1,
1,
1
] | 3 | [
[
4.07768484,
0,
0
],
[
2.03884242,
8.61228362,
0
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[
2.03884242,
0,
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[
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] | [{"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"]}] | [
"Pr",
"Pr",
"Pr",
"Pr",
"Te",
"Te",
"Te",
"Te",
"Te"
] | 2023-11-16 06:57:59 | [
0.4444444444444444,
0.5555555555555556
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[
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[
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] | -43.62174 | [
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0,
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[
0,
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0.00254111
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] | 0.167643 | 7.26957 | pbe | true | 41a93e989795321283419f6aaf888507_139_Pr4Te5 |
[
"Ag",
"Bi",
"Na"
] | 10 | A2B2C | Ag2Bi2Na | Na2 Ag4 Bi4 | 3 | [
1,
1,
1
] | 3 | [
[
6.08292666,
0.46906004,
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[
3.38964626,
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] | [{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Na",
"Na",
"Ag",
"Ag",
"Ag",
"Ag",
"Bi",
"Bi",
"Bi",
"Bi"
] | 2023-11-16 06:57:59 | [
0.4,
0.4,
0.2
] | [
[
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[
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[
0.00875656,
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2.2172663
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] | -30.133343 | [
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0
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[
0.00151964,
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]
] | -0.000008 | 3.603375 | pbe | true | 277afa1961b5b294f4f9aac05f593752_2_Na2Ag4Bi4 |
[
"Ag",
"S",
"Se"
] | 14 | A5BC | AgS5Se | Ag2 Se2 S10 | 3 | [
1,
1,
1
] | 3 | [
[
9.48921579,
5.41249729,
-0.92389518
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[
3.7371011,
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[
2.11530317,
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] | agm005794051 | [
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13.22624571137239,
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[
8.53893249612553,
11.767924709236176,
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] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
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"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.14285714285714285,
0.7142857142857143,
0.14285714285714285
] | [
[
0.78483886,
-0.08421473,
-0.0673174
],
[
-0.08421478,
0.83805645,
-0.0071881
],
[
-0.06731749,
-0.00718804,
0.8347651
]
] | -52.843049 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00065955,
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-0.00146024
],
[
0.0002859,
-0.0001322,
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],
[
0.00182954,
0.00061936,
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],
[
-0.00309925,
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0.00169524
],
[
0.00314736,
0.00095225,
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],
[
-0.00055676,
0.00246844,
0.00048088
],
[
0.00458316,
0.00256287,
-0.00157448
],
[
-0.00493166,
0.000305,
-0.000422
],
[
-0.00115833,
-0.00063043,
0.00319596
],
[
-0.00116461,
0.00339511,
0.00199997
],
[
0.0053273,
-0.00024252,
0.00044444
],
[
-0.002355,
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-0.00249724
],
[
0.00042981,
-0.00201414,
-0.00068885
],
[
-0.002997,
-0.00111133,
0.00523999
]
] | 0 | -0.213892 | pbe | true | 41572cc8457bb9f797c1a3cf77a5c07e_2_Ag2Se2S10 |
[
"Al",
"Li",
"Pr"
] | 10 | A7B2C | Al7LiPr2 | Li1 Pr2 Al7 | 3 | [
1,
1,
1
] | 3 | [
[
4.32478411,
0,
0
],
[
0,
4.32478411,
0
],
[
0,
0,
11.17800904
]
] | agm003511143 | [
[
2.162392055,
2.162392055,
0
],
[
2.162392055,
0,
8.326678676281363
],
[
0,
2.162392055,
2.851330363718637
],
[
0,
2.162392055,
9.674984993438185
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[
2.162392055,
0,
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[
2.162392055,
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1.5030240465618134
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[
0,
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[
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0,
5.58900452
],
[
0,
0,
0
],
[
2.162392055,
2.162392055,
5.58900452
]
] | [{"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"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"]}] | [
"Li",
"Pr",
"Pr",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al"
] | 2023-11-16 06:57:59 | [
0.7,
0.1,
0.2
] | [
[
0.17389093,
0,
0
],
[
0,
0.17389093,
0
],
[
0,
0,
0.392599
]
] | -41.069153 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
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],
[
0,
0,
0.00513241
],
[
0,
0,
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[
0,
0,
0.00627786
],
[
0,
0,
0.00016133
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[
0,
0,
-0.00627786
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000001 | 2.493877 | pbe | true | b9ef0e1822f0ed0b6ec92097de5e9842_115_Li1Pr2Al7 |
[
"Au",
"Li",
"Sn"
] | 7 | A4B2C | Au2Li4Sn | Li4 Sn1 Au2 | 3 | [
1,
1,
1
] | 3 | [
[
4.970322,
0,
0
],
[
0,
4.970322,
0
],
[
2.485161,
2.485161,
6.64470993
]
] | agm001074117 | [
[
2.4851610248516103,
2.4851610248516103,
1.3856251491875602
],
[
4.970321975148391,
4.970321975148391,
5.25908478081244
],
[
0,
0,
0
],
[
2.48516097514839,
2.48516097514839,
3.9367368720527733
],
[
4.970322024851611,
4.970322024851611,
2.707973057947227
],
[
0,
2.485161,
0
],
[
2.485161,
0,
0
]
] | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"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",
"Sn",
"Li",
"Li",
"Li",
"Li"
] | 2023-11-16 06:57:59 | [
0.2857142857142857,
0.5714285714285714,
0.14285714285714285
] | [
[
2.4326196,
0,
0
],
[
0,
2.4326196,
0
],
[
0,
0,
2.258479
]
] | -18.415812 | [
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0.00076352
],
[
0,
0,
-0.00076352
],
[
0,
0,
0
],
[
0,
0,
-0.0027143
],
[
0,
0,
0.0027143
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 3.089322 | pbe | true | 1d1a74304c7758e26f2aa4adb2fb5147_139_Li4Sn1Au2 |
[
"Be",
"Br",
"Ca"
] | 4 | A2BC | BeBr2Ca | Ca1 Be1 Br2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.69583863,
3.69583863
],
[
3.69583863,
0,
3.69583863
],
[
3.69583863,
3.69583863,
0
]
] | agm002646171 | [
[
0,
0,
0
],
[
3.69583863,
3.69583863,
3.69583863
],
[
1.847919315,
1.847919315,
1.847919315
],
[
5.543757944999999,
5.543757944999999,
5.543757944999999
]
] | [{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}] | [
"Be",
"Ca",
"Br",
"Br"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
0.47035965,
0,
0
],
[
0,
0.47035965,
0
],
[
0,
0,
0.47035965
]
] | -11.035741 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 0 | pbe | true | 00b2750440dc3b1f3a7ee69005b186ef_225_Ca1Be1Br2 |
[
"Be",
"Mn",
"Zn"
] | 5 | A3BC | Be3MnZn | Mn1 Be3 Zn1 | 3 | [
1,
1,
1
] | 3 | [
[
4.03268327,
0,
0
],
[
0,
4.03268327,
0
],
[
0,
0,
4.03268327
]
] | agm002415271 | [
[
0,
2.016341635,
0
],
[
0,
0,
2.016341635
],
[
2.016341635,
0,
0
],
[
2.016341635,
2.016341635,
2.016341635
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Be",
"Be",
"Be",
"Zn",
"Mn"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
6.3546233,
0,
0
],
[
0,
6.3546233,
0
],
[
0,
0,
6.3546233
]
] | -16.647038 | [
0.009,
-0.014,
-0.04,
-0.016,
1.146
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.108013 | 2.634391 | pbe | true | 2b60becad44b57be706f6d3622ad4a52_221_Mn1Be3Zn1 |
[
"Ca",
"Cl",
"W"
] | 4 | A2BC | Ca2ClW | Ca2 W1 Cl1 | 3 | [
1,
1,
1
] | 3 | [
[
5.57678724,
-2.7e-7,
-3.6e-7
],
[
-1.4e-7,
3.04403172,
0.0016428
],
[
-3.6e-7,
-0.00426309,
5.57871894
]
] | agm004237117 | [
[
5.576714856470067,
0.3797573413889859,
4.863024207301068
],
[
2.7884025020700642,
0.3822028897797192,
2.087171226594964
],
[
2.788475865377379,
1.9017845083101808,
4.881970054461549
],
[
5.576767386082489,
1.8916443055211143,
2.1170949816424187
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}] | [
"Ca",
"Ca",
"W",
"Cl"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
1.1238239,
0.00006898,
0.00009449
],
[
0.00006886,
1.2828306,
0.00572259
],
[
0.00009451,
0.00572283,
1.0870012
]
] | -18.080513 | [
0,
0,
0,
0
] | [
[
0.00063295,
-0.00065863,
-0.00504775
],
[
-0.00000932,
-0.00080275,
0.0029093
],
[
-0.00073654,
-0.00246124,
0.00276131
],
[
0.00011292,
0.00392262,
-0.00062286
]
] | -0.000714 | 4.429089 | pbe | true | 0199c211e4594df12d2a19ab03ce737f_6_Ca2W1Cl1 |
[
"Ca",
"Rh",
"Tb"
] | 7 | A3B2C2 | Ca2Rh3Tb2 | Ca2 Tb2 Rh3 | 3 | [
1,
1,
1
] | 3 | [
[
4.63558137,
-0.00052176,
-1.29409158
],
[
-2.49820445,
4.11485767,
-0.00173222
],
[
-0.09958569,
-0.05863862,
8.59272222
]
] | agm005559110 | [
[
0.8183398471511859,
0.4982465764927632,
2.931382392566979
],
[
1.219451382848814,
3.557450713507237,
4.365516027433022
],
[
2.534081090213729,
1.5400608892483596,
0.12704740469154258
],
[
-0.49628986021372923,
2.51563640075164,
7.169851015308458
],
[
0,
0,
0
],
[
1.6746076111412782,
1.016622103951569,
5.9967851112470445
],
[
0.3631836188587217,
3.0390751860484313,
1.300113308752957
]
] | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Ca",
"Ca",
"Tb",
"Tb",
"Rh",
"Rh",
"Rh"
] | 2023-11-16 06:57:59 | [
0.2857142857142857,
0.42857142857142855,
0.2857142857142857
] | [
[
4.9509964,
-0.00089857,
-0.00535455
],
[
-0.00089857,
4.9548035,
-0.00427278
],
[
-0.00535455,
-0.00427278,
4.9331775
]
] | -39.524049 | [
0,
0,
0,
0,
0,
0,
0
] | [
[
0.0011898,
0.00072369,
0.00426143
],
[
-0.0011898,
-0.00072369,
-0.00426143
],
[
0.00063834,
0.00038827,
0.0022863
],
[
-0.00063834,
-0.00038827,
-0.0022863
],
[
0,
0,
0
],
[
-0.0014704,
-0.00089437,
-0.00526646
],
[
0.0014704,
0.00089437,
0.00526646
]
] | 0 | 3.860242 | pbe | true | 17482809e54d120467167302d0a1abb0_166_Ca2Tb2Rh3 |
[
"Cl",
"Na",
"Ru"
] | 5 | A3BC | ClNaRu3 | Na1 Ru3 Cl1 | 3 | [
1,
1,
1
] | 3 | [
[
4.40080928,
0,
0
],
[
0,
4.40080928,
0
],
[
0,
0,
4.40080928
]
] | agm002547647 | [
[
0,
2.20040464,
0
],
[
0,
0,
2.20040464
],
[
2.20040464,
0,
0
],
[
2.20040464,
2.20040464,
2.20040464
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}] | [
"Ru",
"Ru",
"Ru",
"Na",
"Cl"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
3.1597,
0,
0
],
[
0,
3.1597,
0
],
[
0,
0,
3.1597
]
] | -25.470697 | [
0,
-0.001,
0.001,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.00018 | 7.03806 | pbe | true | 6cb6d222430aedc2254e4ae2a59a8ac4_221_Na1Ru3Cl1 |
[
"Ag",
"Ca",
"Zr"
] | 4 | A2BC | Ag2CaZr | Ca1 Zr1 Ag2 | 3 | [
1,
1,
1
] | 3 | [
[
4.91104159,
0.00331915,
-0.01829103
],
[
3.95096891,
2.91687935,
-0.01829103
],
[
0.84553469,
0.27861952,
6.63259502
]
] | agm004226545 | [
[
7.2806588925,
2.399113515,
4.9470097200000005
],
[
2.4268862975000003,
0.7997045049999999,
1.64900324
],
[
8.87822453063367,
2.9255413267873,
0.22237573613462822
],
[
4.837558564366331,
1.5940661832126999,
3.0390486838653716
]
] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Ca",
"Zr",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
4.484651,
0.05456498,
-0.00962008
],
[
0.05456498,
4.3370414,
-0.00317
],
[
-0.00962021,
-0.00317004,
4.3992167
]
] | -15.765985 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0.0004953,
0.00016321,
0.00276596
],
[
-0.0004953,
-0.00016321,
-0.00276596
]
] | -0.000038 | 3.549955 | pbe | true | eb0d4408a915351df8626c1bcdc76f90_12_Ca1Zr1Ag2 |
[
"Ag",
"Hg",
"Pt"
] | 5 | A3BC | AgHgPt3 | Ag1 Hg1 Pt3 | 3 | [
1,
1,
1
] | 3 | [
[
5.02317039,
0,
0
],
[
0,
5.02317039,
0
],
[
0,
0,
5.02317039
]
] | agm002391148 | [
[
2.511585195,
2.511585195,
2.511585195
],
[
0,
0,
0
],
[
0,
2.511585195,
0
],
[
0,
0,
2.511585195
],
[
2.511585195,
0,
0
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Ag",
"Hg",
"Pt",
"Pt",
"Pt"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
7.282674,
0,
0
],
[
0,
7.282674,
0
],
[
0,
0,
7.282674
]
] | -14.245074 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 6.055542 | pbe | true | 6d146741821d7be8387ad1eb25194efe_221_Ag1Hg1Pt3 |
[
"As",
"Ca",
"Zr"
] | 4 | A2BC | As2CaZr | Ca1 Zr1 As2 | 3 | [
1,
1,
1
] | 3 | [
[
5.61072,
0,
0
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[
0,
4.02126684,
3e-7
],
[
0,
3e-7,
4.01771256
]
] | agm003889478 | [
[
0,
3.5186419631345602,
3.51510316852382
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[
2.80536,
1.5079933536615318,
1.507116613469064
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[
0,
1.507957684985409,
1.5065909359550524
],
[
2.80536,
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] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}] | [
"As",
"As",
"Ca",
"Zr"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
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0
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[
0,
0.69020087,
1.4e-7
],
[
0,
1.4e-7,
1.1858107
]
] | -24.045536 | [
0,
0,
0,
0
] | [
[
0,
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[
0,
0,
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],
[
0,
0,
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[
0,
0,
0.0011297
]
] | -0 | 1.138593 | pbe | true | 6afb638f6c8a5057fe443c76e9d9cf31_123_Ca1Zr1As2 |
[
"Au",
"K",
"Si"
] | 6 | A3B2C | Au3K2Si | K2 Si1 Au3 | 3 | [
1,
1,
1
] | 3 | [
[
4.15652509,
0,
0
],
[
0,
5.6228194,
0
],
[
-2.07826254,
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7.09226437
]
] | agm003414098 | [
[
2.078264604408853,
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[
0,
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0
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[
2.0782625252470934,
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] | [{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}] | [
"K",
"K",
"Si",
"Au",
"Au",
"Au"
] | 2023-11-16 06:57:59 | [
0.5,
0.3333333333333333,
0.16666666666666666
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[
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[
0,
3.6701407,
0
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[
0,
0,
3.9142382
]
] | -17.787461 | [
0,
0,
0,
0,
0,
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[
0,
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[
0,
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[
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[
0,
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],
[
0,
0,
0
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[
0,
0,
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]
] | -0 | 1.091048 | pbe | true | c57189cebcce6e3ef813910a023b7aac_71_K2Si1Au3 |
[
"B",
"I",
"Ir"
] | 5 | A3BC | BI3Ir | B1 Ir1 I3 | 3 | [
1,
1,
1
] | 3 | [
[
5.42460564,
0,
0
],
[
0,
5.42460564,
0
],
[
0,
0,
5.42460564
]
] | agm002412730 | [
[
0,
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0
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[
0,
0,
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[
2.71230282,
0,
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[
2.71230282,
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[
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] | [{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}] | [
"I",
"I",
"I",
"B",
"Ir"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
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0,
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[
0,
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[
0,
0,
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] | -13.913693 | [
0,
0,
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0
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0,
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[
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[
0,
0,
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[
0,
0,
0
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[
0,
0,
0
]
] | 0 | 5.1077 | pbe | true | 40f2fea5cec60dab2bbe37cbbc2ecd42_221_B1Ir1I3 |
[
"B",
"I",
"Sr"
] | 5 | A3BC | BI3Sr | Sr1 B1 I3 | 3 | [
1,
1,
1
] | 3 | [
[
6.37917128,
0,
0
],
[
0,
6.37917128,
0
],
[
0,
0,
6.37917128
]
] | agm002403994 | [
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0
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[
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[
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[
0,
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[
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] | [{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"I",
"I",
"I",
"Sr",
"B"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
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0,
0
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[
0,
0.5387405,
0
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[
0,
0,
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] | -11.985311 | [
0,
0,
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0
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0,
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[
0,
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000067 | 0 | pbe | true | df4cbc879ce798bda38756b1eb4fa73e_221_Sr1B1I3 |
[
"Ca",
"Hg",
"Sr"
] | 11 | A8B2C | Ca8HgSr2 | Sr2 Ca8 Hg1 | 3 | [
1,
1,
1
] | 3 | [
[
5.80409342,
1e-8,
-1.66617714
],
[
0.04686516,
7.58024002,
0.16325183
],
[
-0.13626932,
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10.46761775
]
] | agm005975897 | [
[
4.495475534036836,
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[
1.219213725963165,
2.9522950842807045,
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[
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[
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[
3.39218353715659,
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[
0.15339469175320622,
1.84533275069826,
0.5343466974459646
],
[
2.90204671,
5e-9,
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]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"Sr",
"Sr",
"Ca",
"Ca",
"Ca",
"Ca",
"Ca",
"Ca",
"Ca",
"Ca",
"Hg"
] | 2023-11-16 06:57:59 | [
0.7272727272727273,
0.09090909090909091,
0.18181818181818182
] | [
[
1.2357976,
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[
0.02139264,
1.202063,
0.0745205
],
[
-0.02813201,
0.07452055,
1.1458763
]
] | -20.307585 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00073181,
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[
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[
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[
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[
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[
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[
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[
-0.00010153,
-0.002439,
-0.00035368
],
[
0,
0,
0
]
] | 0 | 13.709212 | pbe | true | 897a3b81873174696cdb44a6984e8951_12_Sr2Ca8Hg1 |
[
"Ca",
"Sb",
"Sc"
] | 4 | A2BC | CaSbSc2 | Ca1 Sc2 Sb1 | 3 | [
1,
1,
1
] | 3 | [
[
3.91766143,
0,
0
],
[
0,
3.91766143,
0
],
[
0,
0,
6.93159782
]
] | agm004294724 | [
[
0,
0,
6.848509034195573
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[
1.958830715,
1.958830715,
1.465003180757861
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[
1.958830715,
1.958830715,
5.433331772835371
],
[
0,
0,
3.5821505622111958
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] | [{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}] | [
"Sc",
"Sc",
"Sb",
"Ca"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
2.2233663,
0,
0
],
[
0,
2.2233663,
0
],
[
0,
0,
2.0426266
]
] | -20.41455 | [
0.249,
0.194,
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0.016
] | [
[
0,
0,
0.00404909
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[
0,
0,
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[
0,
0,
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],
[
0,
0,
-0.00280129
]
] | 0.769927 | 4.175568 | pbe | true | 3b2ed8ad269a708009c2c79491ef9c69_99_Ca1Sc2Sb1 |
[
"Ce",
"N",
"Nd"
] | 12 | A3B2C | CeN3Nd2 | Ce2 Nd4 N6 | 3 | [
1,
1,
1
] | 3 | [
[
3.55786533,
-0.00041268,
0.00033116
],
[
-1.77985569,
6.56421704,
-1.97630786
],
[
0.000773,
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8.82592605
]
] | agm005659295 | [
[
1.778932665,
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0.00016558
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[
0.0003865,
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4.412963025
],
[
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2.071854053933674,
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[
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4.148125106066326,
4.580674164938274
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[
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[
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1.908224452238798,
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[
1.7786672267586383,
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[
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2.697777848645765
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[
1.779207307024971,
1.496247780902519,
4.1521715013542355
]
] | [{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}] | [
"Ce",
"Ce",
"Nd",
"Nd",
"Nd",
"Nd",
"N",
"N",
"N",
"N",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.5,
0.3333333333333333
] | [
[
0.1469729,
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[
-0.00518189,
0.3093012,
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],
[
-0.0006564,
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]
] | -94.126515 | [
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0.031,
0.033,
0.033,
-0.012,
-0.012,
-0.009,
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] | [
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[
0,
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[
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[
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[
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[
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[
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[
0.00001895,
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-0.00008477
],
[
-0.00001895,
0.00055916,
0.00008477
]
] | 0.596363 | 6.975996 | pbe | true | 1e848e6f24caf1c12b53757ce04dcc5a_12_Ce2Nd4N6 |
[
"Cl",
"F",
"K"
] | 12 | A4BC | Cl4FK | K2 Cl8 F2 | 3 | [
1,
1,
1
] | 3 | [
[
-3.41194794,
3.41194785,
6.98100599
],
[
3.41194794,
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[
3.41194785,
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]
] | agm005823872 | [
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0,
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[
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3.490502995
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[
3.411419506812827,
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10.104288174058928
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[
0,
0,
0
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[
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3.490502995
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] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}] | [
"K",
"K",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
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0.16666666666666666
] | [
[
0.39644402,
0,
0
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[
0,
0.39644402,
0
],
[
0,
0,
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]
] | -30.328677 | [
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0,
0,
0,
0,
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0,
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] | [
[
0,
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[
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[
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[
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[
0.00224379,
0,
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[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 0 | pbe | true | dd47c49b94de0618362c9fa524d49a4d_141_K2Cl8F2 |
[
"Cl",
"Fe",
"Se"
] | 14 | A3B3C | ClFe3Se3 | Fe6 Se6 Cl2 | 3 | [
1,
1,
1
] | 3 | [
[
6.22092953,
0.19800239,
0
],
[
-0.19002267,
5.99964293,
0
],
[
0,
0,
21.33379852
]
] | agm2000086642 | [
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4.907048833318225,
3.427694172360691,
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[
1.1148871316189213,
3.3058576790854084,
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[
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[
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[
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[
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[
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[
-0.00037286,
0.00129177,
0.00185613
]
] | -0.000483 | 21.951199 | pbe | true | 0c730773d9cbcfa5d65b222437372508_44_Tb8Er3Sc3 |
[
"Ho",
"Si",
"Sm"
] | 10 | A2B2C | HoSi2Sm2 | Sm4 Ho2 Si4 | 3 | [
1,
1,
1
] | 3 | [
[
4.32487907,
0,
0
],
[
0,
7.55062299,
0
],
[
0,
0,
7.55062299
]
] | agm005901499 | [
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] | [{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"Sm",
"Sm",
"Sm",
"Sm",
"Ho",
"Ho",
"Si",
"Si",
"Si",
"Si"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.4
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[
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0
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[
0,
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] | -56.751074 | [
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0,
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[
0,
0.00109572,
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]
] | 0.000557 | 8.45118 | pbe | true | 149c1d3c8dd1005f363f97e1cc41f3f3_127_Sm4Ho2Si4 |
[
"La",
"S",
"Sr"
] | 8 | A4B3C | LaS4Sr3 | Sr3 La1 S4 | 3 | [
1,
1,
1
] | 3 | [
[
4.2341596,
0,
0
],
[
0,
7.35253434,
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[
0,
-2.37925672,
6.95723033
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] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"Sr",
"Sr",
"Sr",
"La",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.125,
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0.375
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[
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0
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[
0,
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[
0,
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] | -43.417529 | [
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0,
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[
0,
0.00014995,
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]
] | -0 | 3.092053 | pbe | true | e2f8f7e16342686b8c0950a85bf58a6e_65_Sr3La1S4 |
[
"Mo",
"P",
"Sb"
] | 4 | A2BC | MoP2Sb | Sb1 Mo1 P2 | 3 | [
1,
1,
1
] | 3 | [
[
5.08382559,
0.01663091,
0
],
[
1.86948475,
4.72764064,
0
],
[
-3.47665521,
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2.8515609
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] | agm003836276 | [
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0,
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0
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] | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Mo",
"P",
"P",
"Sb"
] | 2023-11-16 06:57:59 | [
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0.5,
0.25
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[
1.6473471,
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-2e-8
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[
0.0498765,
1.6082779,
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[
-2e-8,
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]
] | -23.303598 | [
0.865,
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[
0,
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0
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[
0,
0,
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[
0,
0,
0
]
] | 0.926246 | 3.23206 | pbe | true | c55516b3b473aac3d481a2e7d2c3cedf_119_Sb1Mo1P2 |
[
"Mo",
"Sb",
"Tc"
] | 4 | A2BC | MoSb2Tc | Tc1 Sb2 Mo1 | 3 | [
1,
1,
1
] | 3 | [
[
3.15930024,
0.01029386,
0
],
[
-1.36448992,
2.84946508,
0
],
[
0,
0,
8.48308159
]
] | agm003890119 | [
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0,
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[
0,
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] | [{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}] | [
"Mo",
"Sb",
"Sb",
"Tc"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
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[
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0
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[
0.08929262,
3.6945395,
0
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[
0,
0,
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] | -27.109751 | [
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0,
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[
0,
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[
0,
0,
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[
0,
0,
0
]
] | 0.000444 | 4.250468 | pbe | true | cf0b4bdd42e8ef86248f0afa6065264c_65_Tc1Sb2Mo1 |
[
"Na",
"Ta",
"Tl"
] | 8 | A2BC | NaTaTl2 | Na2 Ta2 Tl4 | 3 | [
1,
1,
1
] | 3 | [
[
4.79023874,
0,
0
],
[
0,
4.79023874,
0
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[
2.39511937,
2.39511937,
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]
] | agm002863225 | [
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[
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[
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] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"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",
"Tl",
"Tl",
"Tl",
"Tl",
"Ta",
"Ta"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
4.092312,
0,
0
],
[
0,
4.092312,
0
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[
0,
0,
4.417579
]
] | -28.217267 | [
0,
0,
0,
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0,
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[
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[
0,
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[
0,
0,
0
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[
0,
0,
0
]
] | 0 | 1.764953 | pbe | true | 323323c22f0b0b64b141fc55df1cb6b2_122_Na2Ta2Tl4 |
[
"Ta",
"V",
"Zr"
] | 12 | A8B3C | TaV8Zr3 | Zr3 Ta1 V8 | 3 | [
1,
1,
1
] | 3 | [
[
5.14056032,
0,
0
],
[
2.57028016,
4.45185582,
0
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[
2.57028016,
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] | agm003587059 | [
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[
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] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}] | [
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"Zr",
"Zr",
"Ta",
"V",
"V",
"V",
"V",
"V",
"V",
"V",
"V"
] | 2023-11-16 06:57:59 | [
0.08333333333333333,
0.6666666666666666,
0.25
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0
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[
0,
3.593186,
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[
0,
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] | -110.229061 | [
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[
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[
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[
0,
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[
0,
0.00004733,
0.00448998
]
] | -0.000526 | 22.524755 | pbe | true | 955e3abaa3dd6cdde61453240468af34_160_Zr3Ta1V8 |
[
"Ac",
"K",
"O",
"S"
] | 10 | A6B2CD | AcKO6S2 | K1 Ac1 S2 O6 | 4 | [
1,
1,
1
] | 3 | [
[
5.48390078,
-0.00000224,
0
],
[
2.74195233,
4.74919626,
0
],
[
2.74195103,
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7.0309793
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] | agm004944933 | [
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[
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[
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[
6.807114237949359,
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] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}] | [
"K",
"Ac",
"S",
"S",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.1,
0.1,
0.6,
0.2
] | [
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0
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[
0.00000164,
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[
0,
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] | -63.509214 | [
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[
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[
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[
0.00095984,
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] | 0 | 0 | pbe | true | bf8100b1ca08dbb8ed1161381455ceb2_148_K1Ac1S2O6 |
[
"C",
"F",
"Rb",
"Ta"
] | 10 | A6B2CD | CF6Rb2Ta | Rb2 Ta1 C1 F6 | 4 | [
1,
1,
1
] | 3 | [
[
6.88688986,
0,
0
],
[
0,
6.88688986,
0
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[
3.44344493,
3.44344493,
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]
] | agm004484541 | [
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3.44344493,
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0
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[
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2.9512104740842107
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[
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[
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] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}] | [
"C",
"F",
"F",
"F",
"F",
"F",
"F",
"Rb",
"Rb",
"Ta"
] | 2023-11-16 06:57:59 | [
0.1,
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0.2,
0.1
] | [
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3.236431,
0,
0
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[
0,
3.236431,
0
],
[
0,
0,
2.1693053
]
] | -53.948607 | [
1.131,
0.008,
0.008,
0.008,
0.008,
0.008,
0.008,
0.01,
0.01,
0.175
] | [
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[
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[
0,
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[
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[
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[
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[
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],
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 2.999993 | 0 | pbe | true | ae6500e81b8f31524cd25a8aa3e5387d_139_Rb2Ta1C1F6 |
[
"Ce",
"Cs",
"O",
"Ta"
] | 11 | A7B2CD | CeCsO7Ta2 | Cs1 Ce1 Ta2 O7 | 4 | [
1,
1,
1
] | 3 | [
[
3.9230099,
0,
0
],
[
0,
3.9230099,
0
],
[
0,
0,
11.51261036
]
] | agm004873260 | [
[
0,
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0,
0,
0
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[
1.96150495,
1.96150495,
2.2417662279688613
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[
1.96150495,
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[
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[
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[
1.96150495,
1.96150495,
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[
1.96150495,
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] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}] | [
"Cs",
"Ce",
"Ta",
"Ta",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.09090909090909091,
0.09090909090909091,
0.6363636363636364,
0.18181818181818182
] | [
[
0.5606003,
0,
0
],
[
0,
0.5606003,
0
],
[
0,
0,
0.68086964
]
] | -96.994218 | [
0,
0.886,
0.008,
0.008,
0,
-0.004,
-0.004,
-0.004,
-0.004,
0,
-0.012
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[
0,
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[
0,
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[
0,
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[
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[
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[
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[
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[
0,
0,
0.00036655
],
[
0,
0,
-0.00241234
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[
0,
0,
0
]
] | 0.928417 | 7.030723 | pbe | true | dffc1cad9d9897b9a453212ba8bb4c5e_123_Cs1Ce1Ta2O7 |
[
"Cs",
"O",
"P",
"Ru"
] | 5 | A2BCD | CsOP2Ru | Cs1 P2 Ru1 O1 | 4 | [
1,
1,
1
] | 3 | [
[
5.40395075,
0,
0
],
[
0,
5.40395075,
0
],
[
0,
0,
4.10093334
]
] | agm001762447 | [
[
0,
0,
0
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[
2.701975375,
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2.05046667
],
[
0,
0,
2.05046667
],
[
0,
2.701975375,
0
],
[
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0,
0
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] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}] | [
"Cs",
"Ru",
"O",
"P",
"P"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
0.4395592,
0,
0
],
[
0,
0.4395592,
0
],
[
0,
0,
0.06368145
]
] | -15.261782 | [
-0.003,
2.43,
-0.007,
-0.122,
-0.122
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.10316 | 6.735231 | pbe | true | b8819426432381b62ccaf09e4cff360f_123_Cs1P2Ru1O1 |
[
"Er",
"Nd",
"Tm",
"Y"
] | 12 | A2B2CD | Er2NdTmY2 | Nd2 Y4 Er4 Tm2 | 4 | [
1,
1,
1
] | 3 | [
[
3.37698673,
0,
0
],
[
0,
6.6786863,
0
],
[
0,
0,
17.46556871
]
] | agm004738545 | [
[
1.688493365,
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0
],
[
0,
0,
8.732784355
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[
1.688493365,
5.071073478820778,
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[
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0,
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[
0,
1.731730328820778,
2.684128160789755
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[
1.688493365,
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[
0,
5.056216407212113,
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[
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11.784412183932975
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[
0,
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14.413940881067024
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[
0,
0,
0
],
[
1.688493365,
3.33934315,
8.732784355
]
] | [{"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Nd",
"Nd",
"Y",
"Y",
"Y",
"Y",
"Er",
"Er",
"Er",
"Er",
"Tm",
"Tm"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.16666666666666666,
0.16666666666666666,
0.3333333333333333
] | [
[
1.3233036,
0,
0
],
[
0,
1.0941262,
0
],
[
0,
0,
1.3969396
]
] | -59.060646 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0.00017731,
0.00553214
],
[
0,
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[
0,
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0.00553214
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[
0,
0.00017731,
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[
0,
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[
0,
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[
0,
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0.00282702
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[
0,
-0.00282879,
-0.00282702
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.001102 | 18.8374 | pbe | true | 2b9ee2f6a1277f37d747b2a5b2d27357_58_Nd2Y4Er4Tm2 |
[
"Er",
"P",
"Pt",
"Rh"
] | 9 | A5B2CD | ErP2PtRh5 | Er1 P2 Pt1 Rh5 | 4 | [
1,
1,
1
] | 3 | [
[
4.54754867,
0,
0
],
[
0,
4.54754867,
0
],
[
0,
0,
6.86888811
]
] | agm005169637 | [
[
0,
0,
3.434444055
],
[
2.273774335,
2.273774335,
1.0970003777625836
],
[
2.273774335,
2.273774335,
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[
0,
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[
0,
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[
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0,
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[
0,
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[
2.273774335,
0,
5.3664348514576785
],
[
2.273774335,
2.273774335,
3.434444055
]
] | [{"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Er",
"P",
"P",
"Pt",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh"
] | 2023-11-16 06:57:59 | [
0.1111111111111111,
0.2222222222222222,
0.1111111111111111,
0.5555555555555556
] | [
[
10.008771,
0,
0
],
[
0,
10.008771,
0
],
[
0,
0,
9.442133
]
] | -62.376785 | [
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0.00069246
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[
0,
0,
-0.00069246
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[
0,
0,
0
],
[
0,
0,
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[
0,
0,
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[
0,
0,
0.00765322
],
[
0,
0,
0.00765322
],
[
0,
0,
0
]
] | -0.000008 | 9.569219 | pbe | true | dd891b7b8409ec45c2784a15967ab1e3_123_Er1P2Pt1Rh5 |
[
"Ga",
"H",
"Hg",
"Mo"
] | 5 | A2BCD | Ga2HHgMo | Ga2 Hg1 Mo1 H1 | 4 | [
1,
1,
1
] | 3 | [
[
4.48657015,
0,
0
],
[
0,
3.61124475,
0
],
[
0,
0,
4.48657015
]
] | agm001449286 | [
[
0,
0,
0
],
[
0,
1.805622375,
0
],
[
2.243285075,
1.805622375,
2.243285075
],
[
0,
0,
2.243285075
],
[
2.243285075,
0,
0
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"H",
"Mo",
"Hg",
"Ga",
"Ga"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
6.659972,
0,
0
],
[
0,
3.9301858,
0
],
[
0,
0,
6.659972
]
] | -18.761804 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000001 | 3.863151 | pbe | true | e6af13a38b709d9804da09a91ea08907_123_Ga2Hg1Mo1H1 |
[
"As",
"H",
"Y"
] | 4 | A2BC | AsHY2 | Y2 As1 H1 | 3 | [
1,
1,
1
] | 3 | [
[
3.91613749,
-0.0172871,
-0.5802409
],
[
1.92985489,
3.40726696,
-0.58251634
],
[
0.92950042,
0.54445782,
6.26038066
]
] | agm003625165 | [
[
2.3610682236760048,
2.39085670169896,
2.721357275201649
],
[
3.8773135255983284,
3.2667078603516613,
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],
[
4.573277348557519,
1.3866009319450978,
4.1761398961046226
],
[
2.0323829203004027,
2.1969289967115073,
0.5031201303830148
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Y",
"Y",
"As",
"H"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
2.5287106,
-0.00365341,
0.00709284
],
[
-0.00365337,
2.5301082,
-0.01461818
],
[
0.00709284,
-0.01461824,
2.5283377
]
] | -24.754117 | [
0.165,
0.076,
0.009,
0.001
] | [
[
-0.00082717,
-0.00229994,
-0.0115627
],
[
0.00062629,
0.00104436,
0.00566147
],
[
0.00017196,
-0.00038176,
-0.00033508
],
[
0.00002893,
0.00163734,
0.0062363
]
] | 0.616496 | 1.713334 | pbe | true | bdb3d0a8db47a45dc6e2c54a9032a5b0_156_Y2As1H1 |
[
"Au",
"Ce",
"Ho"
] | 7 | A4B2C | Au4Ce2Ho | Ce2 Ho1 Au4 | 3 | [
1,
1,
1
] | 3 | [
[
4.99080838,
1e-8,
-1.59092285
],
[
-0.50713889,
4.96497579,
-1.59092288
],
[
-0.3460086,
-0.38315133,
7.53823033
]
] | agm005975417 | [
[
1.2115645847059076,
4.1048990304435815,
3.80074194873187
],
[
3.960538219705907,
1.622411140443582,
3.80074196373187
],
[
2.926096305294092,
0.4769254395564185,
0.555642651268131
],
[
0.17712267029409243,
2.9594133295564187,
0.555642636268131
],
[
0,
0,
0
],
[
3.07818891382707,
3.4086218161933663,
1.032764652321957
],
[
1.0594719761729297,
1.1732026538066336,
3.323619947678043
]
] | [{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}] | [
"Au",
"Au",
"Au",
"Au",
"Ho",
"Ce",
"Ce"
] | 2023-11-16 06:57:59 | [
0.5714285714285714,
0.2857142857142857,
0.14285714285714285
] | [
[
2.319032,
-0.00557816,
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],
[
-0.00557816,
2.317893,
-0.01749951
],
[
-0.01580311,
-0.01749951,
2.2744951
]
] | -33.552358 | [
0.011,
0.011,
0.011,
0.011,
0.069,
0.84,
0.84
] | [
[
-0.00020137,
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-0.00063169
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[
-0.00020137,
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-0.00063169
],
[
0.00020137,
0.00022298,
0.00063169
],
[
0.00020137,
0.00022298,
0.00063169
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[
0,
0,
0
],
[
-0.00217801,
-0.00241181,
-0.00683253
],
[
0.00217801,
0.00241181,
0.00683253
]
] | 2.134756 | 17.9665 | pbe | true | 70142af50bea8b680244bcf884a8a64d_139_Ce2Ho1Au4 |
[
"Au",
"Co",
"Te"
] | 4 | A2BC | Au2CoTe | Co1 Te1 Au2 | 3 | [
1,
1,
1
] | 3 | [
[
6.46583957,
0.06338649,
0.04284692
],
[
5.67579056,
3.09782193,
0.04284692
],
[
1.24292034,
0.32360813,
3.82672584
]
] | agm004089559 | [
[
11.50270120405926,
2.9948561690927207,
0.3074243472799456
],
[
7.331204160940738,
1.9087605259072793,
1.7344793327200543
],
[
3.3461376174999997,
0.8712041374999999,
0.9781049199999999
],
[
10.0384128525,
2.6136124125,
2.93431476
]
] | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}] | [
"Au",
"Au",
"Co",
"Te"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
4.717953,
-0.0747342,
-0.10344747
],
[
-0.0747342,
4.9855356,
-0.0269337
],
[
-0.10344742,
-0.02693369,
5.227778
]
] | -15.763771 | [
-0.006,
-0.006,
0.535,
0.002
] | [
[
-0.00748983,
-0.00195006,
-0.00101083
],
[
0.00748983,
0.00195006,
0.00101083
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.515519 | 4.185099 | pbe | true | db11cdf4798cc7d308778fb905db488a_12_Co1Te1Au2 |
[
"Au",
"Er",
"Y"
] | 12 | A3B2C | Au2ErY3 | Y6 Er2 Au4 | 3 | [
1,
1,
1
] | 3 | [
[
4.97807996,
0,
0
],
[
0,
7.09206919,
0
],
[
0,
0,
8.97700501
]
] | agm005607156 | [
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0,
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[
0,
7.001786227242305,
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1.8516760751725174,
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[
0,
5.397710670172517,
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] | [{"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Y",
"Y",
"Y",
"Y",
"Y",
"Y",
"Er",
"Er",
"Au",
"Au",
"Au",
"Au"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.16666666666666666,
0.5
] | [
[
2.1590648,
0,
0
],
[
0,
2.1964872,
0
],
[
0,
0,
2.1577544
]
] | -68.751183 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
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[
0,
0.00075931,
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[
0,
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[
0,
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[
0,
0.00263665,
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[
0,
0.00263665,
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[
0,
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[
0,
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[
0,
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[
0,
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[
0,
-0.00100365,
0.00111364
],
[
0,
-0.00100365,
-0.00111364
]
] | 0.000001 | 11.910494 | pbe | true | 6b1f673dc61969e6640c37e26100d97d_26_Y6Er2Au4 |
[
"Cd",
"Pt",
"Sb"
] | 4 | A2BC | CdPt2Sb | Cd1 Sb1 Pt2 | 3 | [
1,
1,
1
] | 3 | [
[
3.74690515,
0,
0
],
[
0,
3.74690515,
0
],
[
0,
0,
5.52087923
]
] | agm004216250 | [
[
0,
0,
2.4727647068085745
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[
0,
0,
5.314573137834422
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[
1.873452575,
1.873452575,
1.6100698547682901
],
[
1.873452575,
1.873452575,
4.404790375588714
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"Sb",
"Pt",
"Pt",
"Cd"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
5.3191147,
0,
0
],
[
0,
5.3191147,
0
],
[
0,
0,
5.3223763
]
] | -18.110065 | [
0,
0,
0,
0
] | [
[
0,
0,
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[
0,
0,
0.00100224
],
[
0,
0,
0.00074368
],
[
0,
0,
0.00269473
]
] | 0 | 1.852086 | pbe | true | 63dfc59ffbc1039d304a21adf0632d13_99_Cd1Sb1Pt2 |
[
"Cl",
"Ni",
"Sc"
] | 4 | A2BC | Cl2NiSc | Sc1 Ni1 Cl2 | 3 | [
1,
1,
1
] | 3 | [
[
4.63373448,
0,
0
],
[
2.31686724,
4.01293178,
0
],
[
2.31686724,
1.33764393,
3.78342836
]
] | agm004088184 | [
[
6.950601720000001,
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2.8375712699999998
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[
4.63373448,
2.6752878549999997,
1.89171418
],
[
0,
0,
0
],
[
2.31686724,
1.3376439274999998,
0.94585709
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}] | [
"Sc",
"Ni",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
-2.0585127,
0,
0
],
[
0,
-2.0585127,
0
],
[
0,
0,
-2.0585127
]
] | -17.043989 | [
-0.001,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.002765 | 4.669108 | pbe | true | ca9363584a19951ab266889b2d09ec98_216_Sc1Ni1Cl2 |
[
"Co",
"Nd",
"Y"
] | 8 | A2BC | Co2NdY | Nd2 Y2 Co4 | 3 | [
1,
1,
1
] | 3 | [
[
3.90798226,
0,
0
],
[
0,
5.66781468,
0
],
[
0,
0,
7.68498114
]
] | agm003630080 | [
[
1.95399113,
2.0782080867869377,
2.4855616730400194
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[
1.95399113,
3.589606593213062,
6.32805224304002
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[
0,
0.7480255422396636,
5.224502092653769
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[
0,
4.919789137760336,
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[
0,
3.786254200764856,
4.035829018120874
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[
0,
1.8815604792351444,
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[
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4.840441715975475,
3.6240771811664763
],
[
1.95399113,
0.8273729640245256,
7.466567751166477
]
] | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Nd",
"Nd",
"Y",
"Y",
"Co",
"Co",
"Co",
"Co"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
0.97177684,
0,
0
],
[
0,
1.1778033,
0
],
[
0,
0,
0.81020325
]
] | -51.844159 | [
-0.087,
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-0.097,
-0.097,
0.446,
0.446,
0.461,
0.461
] | [
[
0,
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[
0,
0.0027143,
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[
0,
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[
0,
0.00009134,
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[
0,
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[
0,
0.00173194,
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],
[
0,
-0.00208158,
0.00033282
],
[
0,
0.00208158,
0.00033282
]
] | 1.056278 | 9.43504 | pbe | true | d9a284de175190ea71f742c9c31ea98e_26_Nd2Y2Co4 |
[
"F",
"I",
"Sb"
] | 5 | A3BC | FI3Sb | Sb1 I3 F1 | 3 | [
1,
1,
1
] | 3 | [
[
5.94820771,
0,
0
],
[
0,
5.94820771,
0
],
[
0,
0,
5.94820771
]
] | agm002468663 | [
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0,
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0
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[
0,
0,
2.974103855
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[
2.974103855,
0,
0
],
[
0,
0,
0
],
[
2.974103855,
2.974103855,
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] | [{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}] | [
"I",
"I",
"I",
"Sb",
"F"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
-0.19369432,
0,
0
],
[
0,
-0.19369432,
0
],
[
0,
0,
-0.19369432
]
] | -10.909061 | [
-0.108,
-0.069,
-0.117,
0.003,
-0.466
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.972778 | 25.16346 | pbe | true | 58d83e12e1fdaa0e5eae07fb0ed9ced8_221_Sb1I3F1 |
[
"Fe",
"O"
] | 10 | A3B2 | Fe2O3 | Fe4 O6 | 2 | [
1,
1,
1
] | 3 | [
[
1.4250484,
-4.65482745,
0
],
[
1.4250484,
4.65482745,
0
],
[
0,
0,
6.91436984
]
] | agm005506040 | [
[
0,
0,
0
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[
0,
0,
3.45718492
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[
1.4250484,
-2.306506753701423,
5.18577738
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[
1.4250484,
2.306506753701423,
1.72859246
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[
1.4250484,
3.785337986842503,
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[
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[
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1.298788000071471,
6.476948549985222
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[
1.4250484,
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[
1.4250484,
1.298788000071471,
3.894606210014778
],
[
1.4250484,
-1.298788000071471,
3.0197636299852224
]
] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}] | [
"Fe",
"Fe",
"Fe",
"Fe",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.4,
0.6
] | [
[
2.1090262,
0,
0
],
[
0,
2.0290875,
0
],
[
0,
0,
2.2148857
]
] | -62.401681 | [
1.235,
1.235,
4.276,
4.276,
0.145,
0.145,
0.138,
0.138,
0.138,
0.138
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0.00046651,
0
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[
0,
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0
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[
0,
0.00114421,
0
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[
0,
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0
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[
0,
0.00176998,
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[
0,
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],
[
0,
0.00176998,
-0.00132252
],
[
0,
-0.00176998,
0.00132252
]
] | 12.034287 | -0.000013 | pbe | true | 5c92ad7aed296fc5c11f52ab3ad604cc_63_Fe4O6 |
[
"Al",
"Cl",
"Rb"
] | 4 | A2BC | AlCl2Rb | Rb1 Al1 Cl2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.85163235,
3.85163235
],
[
3.85163235,
0,
3.85163235
],
[
3.85163235,
3.85163235,
0
]
] | agm002635774 | [
[
0,
0,
0
],
[
3.85163235,
3.85163235,
3.85163235
],
[
1.925816175,
1.925816175,
1.925816175
],
[
5.7774485250000005,
5.7774485250000005,
5.7774485250000005
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}] | [
"Al",
"Rb",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
-0.14741021,
0,
0
],
[
0,
-0.14741021,
0
],
[
0,
0,
-0.14741021
]
] | -12.433172 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 0 | pbe | true | 3b56368f969b08052b36e3d464833c5c_225_Rb1Al1Cl2 |
[
"Au",
"Sb",
"Zr"
] | 4 | A2BC | AuSbZr2 | Zr2 Sb1 Au1 | 3 | [
1,
1,
1
] | 3 | [
[
9.56457332,
0.00086711,
0.00051095
],
[
8.99117032,
3.26188899,
0.00051095
],
[
8.99117032,
1.58096579,
2.8531504
]
] | agm004303623 | [
[
6.886728489999999,
1.2109304725,
0.713543075
],
[
20.66018547,
3.6327914175,
2.140629225
],
[
27.451982886987608,
4.827029649371558,
2.8443363655866323
],
[
13.868388053012392,
2.438553185628442,
1.4369220844133679
]
] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}] | [
"Au",
"Sb",
"Zr",
"Zr"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
3.6594183,
0.02469629,
0.01455234
],
[
0.02469629,
3.5233095,
0.00255882
],
[
0.01455234,
0.00255882,
3.520475
]
] | -25.488284 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.01090697,
-0.00191783,
-0.00113009
],
[
0.01090697,
0.00191783,
0.00113009
]
] | 0.000032 | 5.523328 | pbe | true | 52d0c98e93689f1c76c359344ffb9a17_166_Zr2Sb1Au1 |
[
"Be",
"Co",
"V"
] | 19 | A17BC | Be17CoV | Be17 V1 Co1 | 3 | [
1,
1,
1
] | 3 | [
[
5.39621328,
0.03565588,
0.67652601
],
[
0.60140312,
5.36271432,
0.67652601
],
[
0.03961336,
0.03565587,
5.43831215
]
] | agm005768928 | [
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1.666918474080459,
0.061826141674684795,
3.9707891766478123
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[
3.9157525206171813,
1.6512417707701845,
0.6999217055678331
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0.4545816464031495,
3.720978752513936,
2.120679027054559
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[
2.052811455735832,
3.720978755497601,
0.6999217055678331
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[
0.23630789232112398,
1.6512417639011918,
3.9707891766478123
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[
3.7481332930438342,
0.0618261455600129,
2.120679027054559
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[
2.4044393688058605,
4.600863544430606,
2.7047870765990725
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2.1205194644283694,
1.9086501339595667,
5.111320555484239
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4.8276626794896,
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2.7047870765990725
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3.6257275465258094,
0.9589246332686786,
4.0786319796200186
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3.8942529058827438,
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1.8025842025577075
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1.3338948843172993,
3.5051623609132525,
4.0786319796200186
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[
5.6942988369956264,
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6.405596752840825
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[
5.966961777934961,
5.370778629193647,
4.094478420857413
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[
3.367152397958716,
5.370778624340177,
6.405596752840825
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[
5.435109185522899,
4.8920657621995,
6.114030316878001
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[
0.6178194245112191,
0.5560906231513644,
0.6949937090278163
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[
4.010964478197196,
3.610213029289698,
4.511990023114706
],
[
1.9803804640855773,
1.7825127580302207,
2.2277576738704017
]
] | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}] | [
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"Be",
"Be",
"V",
"Co"
] | 2023-11-16 06:57:59 | [
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] | -0.000211 | 4.177101 | pbe | true | 1f9a1e31d7722f835c6a08c6426e5c41_160_Be17V1Co1 |
[
"Ca",
"Cu",
"Pm"
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1,
1,
1
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5.04544419,
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0
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[
0,
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] | [{"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}] | [
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"Pm",
"Pm",
"Pm",
"Pm",
"Pm",
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] | 2023-11-16 06:57:59 | [
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] | 0.000008 | 8.870812 | pbe | true | cbfad7a09c781f46f40c344232ae3181_51_Ca2Pm6Cu8 |
[
"Hg",
"Nd",
"Tc"
] | 4 | A2BC | HgNd2Tc | Nd2 Tc1 Hg1 | 3 | [
1,
1,
1
] | 3 | [
[
5.19914138,
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"Nd",
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] | -0 | 5.186387 | pbe | true | 34b00365dd36132739e3a5e6a7b7952d_225_Nd2Tc1Hg1 |
[
"In",
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"W"
] | 8 | A2BC | InRuW2 | In2 Ru2 W4 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
7.48015531,
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"Ru",
"Ru",
"W",
"W",
"W",
"W",
"In",
"In"
] | 2023-11-16 06:57:59 | [
0.25,
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0.5
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] | -0.000043 | 8.023786 | pbe | true | eb20aeb2ea4d63cec19a1e6bc2fbb931_122_In2Ru2W4 |
[
"Ir",
"Pr",
"Si"
] | 8 | A2BC | IrPr2Si | Pr4 Si2 Ir2 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
5.65542249,
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[
0,
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"Pr",
"Pr",
"Pr",
"Pr",
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] | 2023-11-16 06:57:59 | [
0.25,
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[
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[
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[
0,
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] | 0.00002 | 7.379203 | pbe | true | 9aa36d59eb69f8a3e0cf20afe3c3551c_11_Pr4Si2Ir2 |
[
"La",
"Mn",
"Rh"
] | 10 | A2B2C | La2MnRh2 | La4 Mn2 Rh4 | 3 | [
1,
1,
1
] | 3 | [
[
4.14427335,
0,
0
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[
0,
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[
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[
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"Mn",
"Mn",
"Rh",
"Rh",
"Rh",
"Rh",
"La",
"La",
"La",
"La"
] | 2023-11-16 06:57:59 | [
0.4,
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0.4
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[
0,
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[
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] | -71.833316 | [
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0.075,
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[
0,
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] | -7.585921 | 7.498171 | pbe | true | ea050da717d8bc039caa31816677d806_127_La4Mn2Rh4 |
[
"Mg",
"Pd",
"Pr"
] | 14 | A4B2C | MgPd2Pr4 | Pr8 Mg2 Pd4 | 3 | [
1,
1,
1
] | 3 | [
[
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[
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] | [{"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}] | [
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"Pr",
"Pr",
"Pr",
"Pr",
"Pr",
"Mg",
"Mg",
"Pd",
"Pd",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.14285714285714285,
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[
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] | -0.000005 | 13.216629 | pbe | true | e973caeca7226065c1ca8e8b2415cc6c_1_Pr8Mg2Pd4 |
[
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"Tm"
] | 22 | A7B3C | Nd7Pm3Tm | Pm6 Nd14 Tm2 | 3 | [
1,
1,
1
] | 3 | [
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] | agm005977996 | [
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[
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1,
1
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] | -0.000009 | 16.561394 | pbe | true | ddabff4768502bd98e1478bbfb646ec2_74_Tb6Pm4Th2 |
[
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1,
1,
1
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] | 0.000002 | 1.85772 | pbe | true | ead1493cfe69f905f6f38ff3d4984b62_65_Zr2Zn1Te1 |