elements listlengths 1 9 | nsites int32 1 444 | chemical_formula_anonymous stringlengths 1 18 | chemical_formula_reduced stringlengths 1 23 | chemical_formula_descriptive stringlengths 2 34 | nelements int8 1 9 | dimension_types listlengths 3 3 | nperiodic_dimensions int8 3 3 | lattice_vectors listlengths 3 3 | immutable_id stringlengths 4 13 ⌀ | cartesian_site_positions listlengths 1 444 | species stringlengths 138 1.25k | species_at_sites listlengths 1 444 | last_modified stringlengths 19 19 | elements_ratios listlengths 1 9 | stress_tensor listlengths 0 3 | energy float64 -2,749.01 5.19k | magnetic_moments listlengths 0 444 | forces listlengths 0 444 | total_magnetization float64 -340.3 383 ⌀ | dos_ef float64 -14.23 392 ⌀ | functional stringclasses 1 value | cross_compatibility bool 1 class | entalpic_fingerprint stringlengths 37 62 ⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"Pu",
"Ru",
"U"
] | 12 | A6B5C | Pu5Ru6U | Pu5 U1 Ru6 | 3 | [
1,
1,
1
] | 3 | [
[
4.48187412,
0.52818325,
-1.40083683
],
[
-1.64478747,
6.31394036,
-2.8960919
],
[
0.06377848,
-0.32394744,
8.0588049
]
] | agm006076496 | [
[
0.1223741710426184,
2.3798886383449007,
1.2859750407564428
],
[
-0.805667684286516,
5.942965531925882,
-0.34838070096377566
],
[
1.8851408871241697,
1.636654112379708,
-1.3304291864173456
],
[
1.0157242428758297,
4.881522057620293,
5.092305356417346
],... | [{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}] | [
"Ru",
"Ru",
"Ru",
"Ru",
"Ru",
"Ru",
"U",
"Pu",
"Pu",
"Pu",
"Pu",
"Pu"
] | 2023-11-16 06:57:59 | [
0.4166666666666667,
0.5,
0.08333333333333333
] | [
[
7.6706867,
-0.02848505,
-0.01359987
],
[
-0.02848528,
7.6669335,
-0.05049159
],
[
-0.01359975,
-0.05049164,
7.5868134
]
] | -140.004423 | [
-0.467,
-0.467,
-0.318,
-0.318,
-0.467,
-0.467,
1.036,
4.743,
4.897,
-4.687,
4.897,
4.743
] | [
[
0.00027002,
0.00819522,
0.00392088
],
[
0.00283638,
-0.00170481,
0.00846501
],
[
-0.00198218,
0.00278378,
-0.00096161
],
[
0.00198218,
-0.00278378,
0.00096161
],
[
-0.00283638,
0.00170481,
-0.00846501
],
[
-0.00027002,
-0.0081... | 13.688003 | 40.51198 | pbe | true | d2cdb8818fba92c96249419c67549cac_71_Pu5U1Ru6 |
[
"Rb",
"Re",
"Ti"
] | 8 | A2BC | RbReTi2 | Rb2 Ti4 Re2 | 3 | [
1,
1,
1
] | 3 | [
[
6.50293356,
0,
0
],
[
0,
6.50293356,
0
],
[
3.25146678,
3.25146678,
6.793578
]
] | agm002897627 | [
[
0,
0,
0
],
[
6.50293356,
3.25146678,
3.396789
],
[
3.25146678,
3.25146678,
0
],
[
3.25146678,
6.50293356,
3.396789
],
[
6.501928206471624,
1.62573339,
1.6983945
],
[
6.503938913528376,
4.87720017,
1.6983945
],
[
4.... | [{"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}] | [
"Re",
"Re",
"Rb",
"Rb",
"Ti",
"Ti",
"Ti",
"Ti"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
2.9366603,
0,
0
],
[
0,
2.9366603,
0
],
[
0,
0,
2.728827
]
] | -47.802302 | [
-0.06,
-0.06,
0.003,
0.003,
0.184,
0.175,
0.11,
0.126
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00104716,
0,
0
],
[
-0.00104716,
0,
0
],
[
0,
-0.00104716,
0
],
[
0,
0.00104716,
0
]
] | 0.654739 | 9.709538 | pbe | true | 7d4207db4d0eabc5259614f529e8b052_141_Rb2Ti4Re2 |
[
"Rb",
"S",
"Sc"
] | 5 | A2B2C | Rb2SSc2 | Rb2 Sc2 S1 | 3 | [
1,
1,
1
] | 3 | [
[
4.13747792,
0,
0
],
[
0,
4.13747792,
0
],
[
2.06873896,
2.06873896,
11.65635807
]
] | agm002942738 | [
[
4.13747792,
2.06873896,
5.828179035
],
[
2.06873896,
4.13747792,
5.828179035
],
[
0,
0,
0
],
[
2.0687389393126105,
2.0687389393126105,
1.7180435544947577
],
[
4.13747794068739,
4.13747794068739,
9.938314515505242
]
] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}] | [
"Sc",
"Sc",
"S",
"Rb",
"Rb"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.4
] | [
[
0.43990588,
0,
0
],
[
0,
0.43990588,
0
],
[
0,
0,
1.1765773
]
] | -18.083098 | [
0.583,
0.583,
0.223,
0.01,
0.01
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00421607
],
[
0,
0,
-0.00421607
]
] | 2.617323 | 4.609518 | pbe | true | 96e39f7e85b1ee830b67c7a9a3934327_139_Rb2Sc2S1 |
[
"Rb",
"S",
"Tl"
] | 6 | ABC | RbSTl | Rb2 Tl2 S2 | 3 | [
1,
1,
1
] | 3 | [
[
7.92560661,
4e-8,
0
],
[
-6.8e-7,
8.41140634,
0
],
[
0,
0,
15
]
] | agm2000101263 | [
[
2.303549411032607,
4.097897298786425,
7.5
],
[
5.622056196398003,
8.303600569648768,
7.5
],
[
6.228628742138213,
3.956590402471585,
7.5
],
[
1.6969768881396423,
8.162293549600646,
7.5
],
[
0.0904445701787807,
1.9052901930988593,
7.5
],
... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}] | [
"Rb",
"Rb",
"Tl",
"Tl",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
0.2892684,
-2e-8,
0
],
[
-2e-8,
0.28850865,
0
],
[
0,
0,
-0.0765766
]
] | -17.991006 | [
0,
0,
0,
0,
0,
0
] | [
[
-0.000422,
0.00035619,
0
],
[
0.000422,
0.00035619,
0
],
[
-0.00116505,
0.00076773,
0
],
[
0.00116505,
0.00076773,
0
],
[
-0.00108271,
-0.00112392,
0
],
[
0.00108271,
-0.00112392,
0
]
] | 0 | 0 | pbe | true | 3357bd6a11449b2a5434ba321527ce1f_26_Rb2Tl2S2 |
[
"Rb",
"S",
"Ti"
] | 30 | A8B6C | Rb8S6Ti | Rb16 Ti2 S12 | 3 | [
1,
1,
1
] | 3 | [
[
8.66477983,
0,
5e-8
],
[
0,
9.41779111,
0
],
[
9.8e-7,
0,
13.7419035
]
] | agm006039419 | [
[
3.1518993713073944,
0,
13.553978178159264
],
[
5.51288190188892,
4.708895555,
6.683026441783286
],
[
7.238620510086297,
7.282412360890021,
1.4101400358405753
],
[
1.4261600110411816,
6.8442743041099785,
8.281091752299844
],
[
1.4261600110411816,
... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}] | [
"Rb",
"Rb",
"Rb",
"Rb",
"Rb",
"Rb",
"Rb",
"Rb",
"Rb",
"Rb",
"Rb",
"Rb",
"Rb",
"Rb",
"Rb",
"Rb",
"Ti",
"Ti",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.5333333333333333,
0.4,
0.06666666666666667
] | [
[
0.03212903,
0,
0
],
[
0,
0.05690536,
0
],
[
0,
0,
0.03212447
]
] | -115.158862 | [
0,
0,
0.001,
0.001,
0.001,
0.001,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0.026,
0.026,
0.031,
0.031,
0.001,
0.001,
0,
0,
0,
0,
0,
0
] | [
[
0.00019939,
0,
-0.00356731
],
[
-0.00019939,
0,
-0.00356731
],
[
0.0017992,
-0.00122435,
-0.00249597
],
[
-0.0017992,
0.00122435,
-0.00249597
],
[
-0.0017992,
-0.00122435,
-0.00249597
],
[
0.0017992,
0.00122435,
-0.0024959... | 0.222944 | 0 | pbe | true | 4531d2d401c0055c5e9f9f690103e91d_31_Rb16Ti2S12 |
[
"Rb",
"Si",
"Sn"
] | 3 | ABC | RbSiSn | Rb1 Si1 Sn1 | 3 | [
1,
1,
1
] | 3 | [
[
6.1805966,
0,
0
],
[
0,
4.36056527,
0
],
[
0,
-2.18028264,
3.7763603
]
] | agm001261142 | [
[
1.498931204878894,
-2.513615969768444e-8,
2.517573545921201
],
[
0.6527174172404661,
0,
0
],
[
4.02894797788064,
2.18028265513616,
1.258786754078799
]
] | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"Si",
"Sn",
"Rb"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
1.7942725,
0,
0
],
[
0,
1.4681295,
0
],
[
0,
0,
1.4681295
]
] | -10.335657 | [
0,
0,
0
] | [
[
-0.00485107,
0,
0
],
[
0.00492067,
0,
0
],
[
-0.0000696,
0,
0
]
] | -0.000002 | 1.040938 | pbe | true | b9c5c42e721fe9a84d4cd40ea45b3cdf_156_Rb1Si1Sn1 |
[
"Rb",
"Se",
"U"
] | 12 | A4BC | RbSe4U | Rb2 U2 Se8 | 3 | [
1,
1,
1
] | 3 | [
[
6.3218056,
0,
0
],
[
0,
6.3218056,
0
],
[
-9.9e-7,
0,
8.63852834
]
] | agm005822379 | [
[
3.160902305,
3.1609028,
4.31926417
],
[
-4.95e-7,
0,
4.31926417
],
[
3.1609028,
3.1609028,
0
],
[
0,
0,
0
],
[
4.084935963815209,
5.39777224658012,
1.654449824668116
],
[
0.9240331638152087,
4.08493615341988,
1.65444982466... | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}] | [
"Rb",
"Rb",
"U",
"U",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.6666666666666666,
0.16666666666666666
] | [
[
0.73922396,
0,
-9e-8
],
[
0,
0.73922396,
0
],
[
-9e-8,
0,
0.7823209
]
] | -63.04808 | [
-0.001,
-0.001,
2.084,
2.084,
0.026,
0.026,
0.026,
0.026,
0.026,
0.026,
0.026,
0.026
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00405994,
0.00405994,
-0.00391743
],
[
-0.00405994,
-0.00405994,
-0.00391743
],
[
0.00405994,
0.00405994,
-0.00391743
],
[
-0.00405994,
-0.... | 4.889086 | 15.647998 | pbe | true | a3ca451f2d6cf35594bb8ed4cb7784d4_125_Rb2U2Se8 |
[
"Re",
"Ru",
"W"
] | 4 | A2BC | Re2RuW | Re2 Ru1 W1 | 3 | [
1,
1,
1
] | 3 | [
[
3.89934668,
0,
0
],
[
0,
2.77403611,
0.01877609
],
[
0,
2.73410379,
5.58434506
]
] | agm003964479 | [
[
0,
2.773488534128206,
0.0652412416944829
],
[
1.94967334,
1.3765567899758666,
1.395224291370033
],
[
0,
2.7547790094601527,
2.7871488487612543
],
[
1.94967334,
4.131421626036452,
4.17584348882992
]
] | [{"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}] | [
"Re",
"Re",
"Ru",
"W"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
17.901043,
0,
0
],
[
0,
17.46089,
0.01805298
],
[
0,
0.0180529,
17.558569
]
] | -46.798752 | [
0,
0,
0,
0
] | [
[
0,
-0.00148145,
-0.02472608
],
[
0,
0.00070957,
0.00969234
],
[
0,
-0.00002216,
0.0113457
],
[
0,
0.00079404,
0.00368804
]
] | 0.000012 | 3.456342 | pbe | true | b03176b1765c68819e8a1edd5dae9d49_25_Re2Ru1W1 |
[
"Re",
"Tc",
"V"
] | 5 | A3BC | ReTc3V | V1 Re1 Tc3 | 3 | [
1,
1,
1
] | 3 | [
[
4.66093913,
0,
0
],
[
0,
4.66093913,
0
],
[
0,
0,
4.66093913
]
] | agm002622118 | [
[
0,
0,
0
],
[
0,
2.330469565,
0
],
[
0,
0,
2.330469565
],
[
2.330469565,
0,
0
],
[
2.330469565,
2.330469565,
2.330469565
]
] | [{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}] | [
"Re",
"Tc",
"Tc",
"Tc",
"V"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
5.049632,
0,
0
],
[
0,
5.049632,
0
],
[
0,
0,
5.049632
]
] | -44.198964 | [
0.157,
-0.581,
-0.581,
-0.581,
2.416
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.134391 | 5.360566 | pbe | true | f29c2a61cb604996d856c8752b14184a_221_V1Re1Tc3 |
[
"Re",
"Tc",
"Y"
] | 26 | A10B2C | Re2Tc10Y | Y2 Re4 Tc20 | 3 | [
1,
1,
1
] | 3 | [
[
6.90759762,
0.03733045,
0
],
[
-0.98585086,
6.83698712,
0
],
[
0,
0,
8.85358699
]
] | agm005741528 | [
[
5.949577434627426,
0.86259818437093,
6.6401902425
],
[
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[
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1,
1
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[
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1,
1
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[
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1
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[
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1,
1
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[
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1
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[
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1,
1,
1
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[
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... | 0.000001 | 17.790468 | pbe | true | ea1750996d667ad34e36f4371fa17715_62_Sm12Tl8Rh4 |
[
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1,
1,
1
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[
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[
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1,
1,
1
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0.14586... | [{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
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[
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[
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[
0,
-0.00422436,
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[
0,
0.00422436,
... | -0.000096 | 14.988433 | pbe | true | fc64b2d44b3fff11f484f443852c0b13_62_Th8Te12Rh4 |
[
"Rh",
"Te",
"Zr"
] | 4 | A2BC | RhTeZr2 | Zr2 Te1 Rh1 | 3 | [
1,
1,
1
] | 3 | [
[
4.84277823,
0,
0
],
[
2.42138911,
4.19396897,
0
],
[
2.42138911,
1.39798966,
3.95411186
]
] | agm004323082 | [
[
4.842778225,
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1.97705593
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[
7.2641673375,
4.1939689725000004,
2.965583895
],
[
0,
0,
0
],
[
2.4213891125,
1.3979896575000001,
0.988527965
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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": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Rh",
"Te",
"Zr",
"Zr"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
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[
0,
3.8364632,
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[
0,
0,
3.8364632
]
] | -27.941629 | [
0.1,
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0.554,
0.361
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
]
] | 1.378057 | 5.879137 | pbe | true | bc995386f324032790687cba1b2ca6b4_216_Zr2Te1Rh1 |
[
"Rh",
"Ti",
"W"
] | 8 | A2BC | Rh2TiW | Ti2 Rh4 W2 | 3 | [
1,
1,
1
] | 3 | [
[
3.9559301,
0,
0
],
[
0,
3.9559301,
0
],
[
1.97796505,
1.97796505,
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]
] | agm002899256 | [
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0.998812299231082,
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[
0,
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[
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... | [{"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}] | [
"Rh",
"Rh",
"Rh",
"Rh",
"W",
"W",
"Ti",
"Ti"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
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12.463453,
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[
0,
12.463453,
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[
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4.3434787
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] | -69.278869 | [
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0,
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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
]
] | 0 | 2.735275 | pbe | true | ad1bb02f9d9e9007ae61757c80f0b8ab_122_Ti2Rh4W2 |
[
"Ru",
"Sb",
"Tc"
] | 4 | A2BC | Ru2SbTc | Tc1 Sb1 Ru2 | 3 | [
1,
1,
1
] | 3 | [
[
4.68985805,
-0.00606784,
-0.00033622
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[
-3.51079144,
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[
0.00532594,
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2.46019547
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] | agm003815803 | [
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] | [{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}] | [
"Ru",
"Ru",
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] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
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[
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] | -32.079084 | [
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[
0,
0,
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[
0,
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[
0,
0,
0
]
] | 0.000206 | 4.996841 | pbe | true | 00773008338c76299071ecf84b918aba_65_Tc1Sb1Ru2 |
[
"Ru",
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"W"
] | 6 | ABC | RuSeW | Ru2 W2 Se2 | 3 | [
1,
1,
1
] | 3 | [
[
3.11139541,
0,
0
],
[
-1.5556977,
2.70223684,
0
],
[
0,
0,
12.3377178
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] | agm001014173 | [
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0
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[
4.0739602189422445e-9,
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[
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[
1.49884890201... | [{"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}] | [
"W",
"W",
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"Se",
"Ru",
"Ru"
] | 2023-11-16 06:57:59 | [
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0
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1e-8,
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[
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] | -50.13147 | [
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[
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[
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[
0,
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],
[
0,
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0.01221491
]
] | -0.000001 | 4.001678 | pbe | true | f898cec26c2a65ab8d48d7c9c9860eac_38_Ru2W2Se2 |
[
"Ru",
"Se",
"Y"
] | 10 | A3BC | RuSeY3 | Y6 Ru2 Se2 | 3 | [
1,
1,
1
] | 3 | [
[
3.85133404,
1.8e-7,
1.3e-7
],
[
0.0000114,
8.34946853,
0.42696175
],
[
0.00001068,
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] | agm003727296 | [
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[... | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Y",
"Y",
"Y",
"Y",
"Y",
"Y",
"Ru",
"Ru",
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] | 2023-11-16 06:57:59 | [
0.2,
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0.6
] | [
[
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[
0.00000332,
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[
0.0000042,
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] | -72.513026 | [
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[
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[
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[
1e-8,
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[
-1e-8,
-0.0... | 0.000108 | 8.488298 | pbe | true | ebffb6d63c0fd2f4ae8c73512fe89196_11_Y6Ru2Se2 |
[
"Ru",
"Si",
"Th"
] | 19 | A12B6C | Ru12Si6Th | Th1 Si6 Ru12 | 3 | [
1,
1,
1
] | 3 | [
[
6.87224646,
0.01594323,
0.02245239
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[
-1.68808568,
6.66171091,
0.02245239
],
[
-1.68808568,
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] | agm003683694 | [
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0,
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4.066960823810244,
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[
3.4294043755228625,
4.41737386282442,
... | [{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
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"Ru",
"Ru",
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"Ru",
"Ru",
"Ru",
"Ru",
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"Ru",
"Ru"
] | 2023-11-16 06:57:59 | [
0.631578947368421,
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0.05263157894736842
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[
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0.07851903
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[
0.06095783,
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] | -159.021858 | [
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[
... | -0.000009 | 12.70078 | pbe | true | d2c77c1bbf2e43c65775fef7a7ffc9a5_166_Th1Si6Ru12 |
[
"Ru",
"Ta",
"V"
] | 6 | A3B2C | Ru2Ta3V | Ta3 V1 Ru2 | 3 | [
1,
1,
1
] | 3 | [
[
3.16122319,
0,
0
],
[
0,
3.16122319,
0
],
[
0,
0,
9.55426665
]
] | agm003436268 | [
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[
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[
0,
0,
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[
1.580611595,
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] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}] | [
"Ta",
"Ta",
"Ta",
"V",
"Ru",
"Ru"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.5,
0.16666666666666666
] | [
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0,
0
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[
0,
5.4049253,
0
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[
0,
0,
4.8881145
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] | -65.10073 | [
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[
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[
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[
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[
0,
0,
0.00121467
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[
0,
0,
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]
] | -0.000081 | 4.012957 | pbe | true | e5919362056f60d18fd26260257e5e96_123_Ta3V1Ru2 |
[
"Ru",
"Ta",
"W"
] | 6 | A4BC | RuTa4W | Ta4 Ru1 W1 | 3 | [
1,
1,
1
] | 3 | [
[
3.22617526,
-0.00061692,
0.00012973
],
[
0.00061641,
3.22617526,
0.00012973
],
[
-0.00038229,
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9.83599528
]
] | agm005906010 | [
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1.6129627242140587,
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[
1.6134466557859415,
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6.524200500599876
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[
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3.31205423940012... | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}] | [
"Ta",
"Ta",
"Ta",
"Ta",
"Ru",
"W"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
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0.16666666666666666
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[
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[
0.00002866,
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] | -71.044152 | [
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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
]
] | -0.000001 | 3.318032 | pbe | true | df387f90528cc01e4067008439770181_123_Ta4Ru1W1 |
[
"Ru",
"Y",
"Zn"
] | 16 | A2BC | RuYZn2 | Y4 Zn8 Ru4 | 3 | [
1,
1,
1
] | 3 | [
[
5.41697088,
0,
0
],
[
0,
7.29142583,
0
],
[
0,
0,
7.50403324
]
] | agm003638175 | [
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2.1267731339397313,
1.8228564575,
0.3313997194941312
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[
4.835258573939732,
5.468569372499999,
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[
0.5817123060602688,
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4.083416339494131
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[
4.914103... | [{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
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"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Ru",
"Ru",
"Ru",
"Ru"
] | 2023-11-16 06:57:59 | [
0.25,
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0.5
] | [
[
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[
0,
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[
0,
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] | -78.24502 | [
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[
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[
0.00856116,
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0.00004116
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[
-0.0... | 0.000001 | 7.500704 | pbe | true | c9fec8dc9edb20135f404ad6a301e050_62_Y4Zn8Ru4 |
[
"S",
"Se",
"Tl"
] | 3 | ABC | SSeTl | Tl1 Se1 S1 | 3 | [
1,
1,
1
] | 3 | [
[
4.45759813,
0,
0
],
[
0,
4.52044984,
0
],
[
0,
-2.26022492,
3.9148244
]
] | agm001264787 | [
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1.304941453617252
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[
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0
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] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}] | [
"Tl",
"S",
"Se"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
2.0330584,
0,
0
],
[
0,
1.7442228,
0
],
[
0,
0,
1.7442228
]
] | -9.6053 | [
0,
0,
0
] | [
[
-0.00218915,
0,
0
],
[
0.00039858,
0,
0
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[
0.00179058,
0,
0
]
] | 0.000001 | 1.822708 | pbe | true | 29467c5397f672a58f75d6b8761f8641_156_Tl1Se1S1 |
[
"S",
"Se",
"U"
] | 4 | A2BC | SSe2U | U1 Se2 S1 | 3 | [
1,
1,
1
] | 3 | [
[
4.11107801,
0,
0
],
[
0,
6.59340617,
-1.81822442
],
[
0,
-3.51681152,
5.86170562
]
] | agm003628343 | [
[
2.055539005,
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2.93085281
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[
0,
-0.36636367494203664,
1.873669678518325
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[
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3.4429583249420364,
2.1698115214816753
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[
2.055539005,
3.296703085,
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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": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}] | [
"U",
"Se",
"Se",
"S"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
0.13722262,
0,
0
],
[
0,
0.11556476,
-0.1207906
],
[
0,
-0.1207907,
0.16682921
]
] | -25.761065 | [
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0.029,
0.029,
0.029
] | [
[
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0
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[
0,
-0.00410804,
0.00140045
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[
0,
0.00410804,
-0.00140045
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[
0,
0,
0
]
] | -0.128442 | 1.200639 | pbe | true | 132299cbab85e8bd8ac1691d5f79ed1e_65_U1Se2S1 |
[
"S",
"Si",
"Tl"
] | 12 | A3B2C | S3SiTl2 | Tl4 Si2 S6 | 3 | [
1,
1,
1
] | 3 | [
[
3.58881817,
-0.00013702,
-0.00021736
],
[
-0.00024896,
7.23312436,
0.16974847
],
[
-1.79517524,
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12.28845386
]
] | agm002188167 | [
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1.794491593265933,
5.329236986822158,
4.210126225680938
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[
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1.5099373731778412,
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5.040299255855901,
11.975890453003148
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[
1.7986415525780304,
1.7988751041440982,
0.48209451699685224
... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
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"Tl",
"Tl",
"Si",
"Si",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.5,
0.16666666666666666,
0.3333333333333333
] | [
[
1.956781,
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[
0.00381915,
1.9878435,
0.03894563
],
[
0.04147477,
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2.0478861
]
] | -51.57569 | [
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] | [
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0.00105579,
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[
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[
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[
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],
[
0.00124629,
0.00074863,
0.00000137
],
[
-0.00124629,
-0.0007... | 0 | 0 | pbe | true | 61b929007c12d0f8110dbe5ac296622d_2_Tl4Si2S6 |
[
"S",
"Sn",
"Tb"
] | 8 | A4B3C | S3SnTb4 | Tb4 Sn1 S3 | 3 | [
1,
1,
1
] | 3 | [
[
5.76636198,
0.00003236,
0.00006707
],
[
0.00003236,
5.76636454,
0.00005599
],
[
2.88326663,
2.88325669,
5.74205906
]
] | agm002311205 | [
[
5.773923414932504,
5.7728968007686685,
5.726354592176582
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[
5.773842145442315,
2.8897914827150117,
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2.8553067313632865
],
[
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2.889687363274314,
2.7498794905964443
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[... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}] | [
"S",
"S",
"S",
"Tb",
"Tb",
"Tb",
"Tb",
"Sn"
] | 2023-11-16 06:57:59 | [
0.375,
0.125,
0.5
] | [
[
0.46020278,
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],
[
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0.46050966,
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],
[
-0.01549743,
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0.34050077
]
] | -48.051417 | [
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0,
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0,
0,
0,
0,
0
] | [
[
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[
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[
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[
0.00006827,
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[
0.00001605,
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0.00380779
],
[
0.00000399,
0.0000066,
... | -0.000005 | 3.258318 | pbe | true | a8994629c9d2a2deaa5a171bceeefff9_139_Tb4Sn1S3 |
[
"S",
"Sn",
"V"
] | 5 | A3BC | S3SnV | V1 Sn1 S3 | 3 | [
1,
1,
1
] | 3 | [
[
4.93578385,
0,
0
],
[
0,
4.93578385,
0
],
[
0,
0,
4.93578385
]
] | agm002582863 | [
[
0,
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0
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[
0,
0,
2.467891925
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[
2.467891925,
0,
0
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[
0,
0,
0
],
[
2.467891925,
2.467891925,
2.467891925
]
] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}] | [
"S",
"S",
"S",
"Sn",
"V"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
2.0520456,
0,
0
],
[
0,
2.0520456,
0
],
[
0,
0,
2.0520456
]
] | -22.683504 | [
-0.172,
-0.172,
-0.172,
0.04,
2.926
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.723289 | 5.144519 | pbe | true | b9eebec2cf72e7fdd998765297d48670_221_V1Sn1S3 |
[
"Sc",
"Sn",
"Tm"
] | 19 | A12B6C | Sc6SnTm12 | Tm12 Sc6 Sn1 | 3 | [
1,
1,
1
] | 3 | [
[
8.07745055,
0.70829869,
0.84852463
],
[
-0.52445697,
8.09146706,
0.84852465
],
[
-0.52445694,
-0.61102904,
8.11285874
]
] | agm003689641 | [
[
5.840892895796928,
4.671186736638559,
4.642975813705914
],
[
2.8048794024453088,
6.3393965437745585,
5.425674403025531
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[
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3.410032149916006,
7.206897401079486
],
[
1.187643744203073,
3.517549973361441,
5.166932206294086
],
[
... | [{"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}] | [
"Tm",
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"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Sc",
"Sc",
"Sc",
"Sc",
"Sc",
"Sc",
"Sn"
] | 2023-11-16 06:57:59 | [
0.3157894736842105,
0.05263157894736842,
0.631578947368421
] | [
[
1.4347451,
0.0266132,
0.03188183
],
[
0.02661307,
1.4429086,
0.03714468
],
[
0.03188194,
0.03714458,
1.4564009
]
] | -94.910611 | [
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00136814,
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[
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0.00175222
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[
0.00219838,
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[
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],
[
0.00413425,
-0.00075004,
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],
[
-0.00219838,
0.003845... | 0.004691 | 31.51155 | pbe | true | 6802c32730a1e55037ffd877c0a90da7_148_Tm12Sc6Sn1 |
[
"Sc",
"Ta",
"Y"
] | 6 | A4BC | Sc4TaY | Y1 Sc4 Ta1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
4.19420961,
4.19420961
],
[
4.19420961,
0,
4.19420961
],
[
4.19420961,
4.19420961,
0
]
] | agm005446898 | [
[
0,
0,
0
],
[
3.1654565611533503,
5.222962658846649,
5.222962658846649
],
[
5.222962658846649,
5.222962658846649,
3.1654565611533503
],
[
5.222962658846649,
3.1654565611533503,
5.222962658846649
],
[
3.1654565611533503,
3.1654565611533503,
... | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Y",
"Sc",
"Sc",
"Sc",
"Sc",
"Ta"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.16666666666666666,
0.16666666666666666
] | [
[
3.4812865,
0,
0
],
[
0,
3.4812865,
0
],
[
0,
0,
3.4812865
]
] | -40.654856 | [
0.414,
0.22,
0.22,
0.22,
0.22,
0.967
] | [
[
0,
0,
0
],
[
0.00310254,
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],
[
-0.00310254,
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0.00310254
],
[
-0.00310254,
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-0.00310254
],
[
0.00310254,
0.00310254,
0.00310254
],
[
0,
0,
0
]
] | 4.203292 | 13.971595 | pbe | true | b982b2af993514438e60776bf7036576_216_Y1Sc4Ta1 |
[
"Sc",
"Ta",
"Zr"
] | 4 | A2BC | ScTaZr2 | Zr2 Sc1 Ta1 | 3 | [
1,
1,
1
] | 3 | [
[
3.07500408,
0,
0
],
[
0,
4.52259982,
0
],
[
0,
0,
6.30080564
]
] | agm003835041 | [
[
1.53750204,
2.26129991,
1.57520141
],
[
1.53750204,
2.26129991,
4.72560423
],
[
0,
0,
6.219484733063735
],
[
0,
0,
3.2317237269362655
]
] | [{"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": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}] | [
"Sc",
"Ta",
"Zr",
"Zr"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
4.639204,
0,
0
],
[
0,
5.1808424,
0
],
[
0,
0,
4.9452577
]
] | -34.654902 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.01566869
],
[
0,
0,
0.01566869
]
] | 0.000013 | 6.719546 | pbe | true | f29473402aae5579c7866158cbc2f41c_47_Zr2Sc1Ta1 |
[
"Sc",
"Tb",
"Zn"
] | 6 | A3B2C | Sc3TbZn2 | Tb1 Sc3 Zn2 | 3 | [
1,
1,
1
] | 3 | [
[
3.37106948,
0,
0
],
[
0,
3.37106948,
0
],
[
0,
0,
11.57186931
]
] | agm003438121 | [
[
1.68553474,
1.68553474,
5.785934655
],
[
0,
0,
0
],
[
0,
0,
8.259449955373617
],
[
0,
0,
3.312419354626384
],
[
1.68553474,
1.68553474,
9.914724394209173
],
[
1.68553474,
1.68553474,
1.6571449157908258
]
] | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Tb",
"Sc",
"Sc",
"Sc",
"Zn",
"Zn"
] | 2023-11-16 06:57:59 | [
0.5,
0.16666666666666666,
0.3333333333333333
] | [
[
2.7930877,
0,
0
],
[
0,
2.7930877,
0
],
[
0,
0,
2.9078894
]
] | -27.532477 | [
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00388968
],
[
0,
0,
-0.00388968
],
[
0,
0,
0.0065643
],
[
0,
0,
-0.0065643
]
] | -0 | 6.812578 | pbe | true | c45d8f230e25f22d79c94244af1b0fbb_123_Tb1Sc3Zn2 |
[
"Se",
"Tc",
"W"
] | 4 | A2BC | SeTcW2 | Tc1 W2 Se1 | 3 | [
1,
1,
1
] | 3 | [
[
8.71082402,
-0.01478794,
-0.00870522
],
[
8.20821022,
2.9161548,
-0.00870522
],
[
8.20821022,
1.40758798,
2.55396373
]
] | agm003791961 | [
[
12.452051736603819,
2.135344712540335,
1.2570137903506762
],
[
6.371405822936355,
1.0926028917356976,
0.6431827583729556
],
[
25.05928958626504,
4.297301573262059,
2.5296933591859254
],
[
18.935364004194785,
3.247137922461909,
1.9114933170904431
]
] | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Se",
"Tc",
"W",
"W"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
7.7720046,
0.10018523,
0.05897606
],
[
0.10018523,
7.2049646,
0.01011353
],
[
0.05897606,
0.01011353,
7.193738
]
] | -38.468321 | [
0,
0,
0,
0
] | [
[
0.00597283,
0.00102425,
0.00060295
],
[
-0.01579206,
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],
[
0.0139385,
0.00239025,
0.00140707
],
[
-0.00411927,
-0.00070639,
-0.00041583
]
] | -0.000008 | 3.643269 | pbe | true | 3590a1a42778f4b0a78c2641161ba15b_160_Tc1W2Se1 |
[
"Se",
"Tm",
"Zn"
] | 14 | A4B2C | Se2Tm4Zn | Tm8 Zn2 Se4 | 3 | [
1,
1,
1
] | 3 | [
[
3.96374693,
0,
0
],
[
-1.98187347,
6.42659734,
0
],
[
0,
0,
13.69210585
]
] | agm005911124 | [
[
-2.2212033317331778e-9,
2.8549558438758442,
8.59619446219508
],
[
1.9818734622212033,
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[
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3.5716414961241556,
1.7501415371950784
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[
-2.2212033317331778e-9,
2.8549558438758442,
11.94196431280492... | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Tm",
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"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Zn",
"Zn",
"Se",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.2857142857142857,
0.5714285714285714,
0.14285714285714285
] | [
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[
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0
],
[
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] | -66.724786 | [
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0,
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[
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[
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[
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[
0,
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... | -0.000045 | 9.076944 | pbe | true | b94080ab9313d78a7d8bf5f77fcb0de2_63_Tm8Zn2Se4 |
[
"Si",
"Sn",
"Th"
] | 4 | A2BC | SiSn2Th | Th1 Si1 Sn2 | 3 | [
1,
1,
1
] | 3 | [
[
4.83080434,
0,
0
],
[
0,
4.48807221,
0
],
[
0,
0,
4.48807221
]
] | agm001247009 | [
[
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2.244036105
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[
0,
0,
2.244036105
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[
0,
2.244036105,
0
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[
2.41540217,
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0
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] | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"Si",
"Sn",
"Sn",
"Th"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
12.219775,
0,
0
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[
0,
0.23228204,
0
],
[
0,
0,
0.23228204
]
] | -22.19316 | [
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] | [
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[
0,
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[
0,
0,
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[
0,
0,
0
]
] | -0.000009 | 2.483842 | pbe | true | c2dfa76f915d51ae28344d33eb0d1774_123_Th1Si1Sn2 |
[
"Si",
"Ta",
"V"
] | 4 | A2BC | Si2TaV | Ta1 V1 Si2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.07861016,
3.07861016
],
[
3.07861016,
0,
3.07861016
],
[
3.07861016,
3.07861016,
0
]
] | agm002739500 | [
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1.53930508
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[
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4.61791524,
4.61791524
],
[
3.07861016,
3.07861016,
3.07861016
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[
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0
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] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}] | [
"Si",
"Si",
"Ta",
"V"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
2.808418,
0,
0
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[
0,
2.808418,
0
],
[
0,
0,
2.808418
]
] | -32.055895 | [
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0.471
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.289945 | 4.343891 | pbe | true | f982829b63be7f0b64a49a6c01f192af_225_Ta1V1Si2 |
[
"Si",
"Ta",
"Zn"
] | 5 | A3BC | SiTaZn3 | Ta1 Zn3 Si1 | 3 | [
1,
1,
1
] | 3 | [
[
4.52123965,
0,
0
],
[
0,
4.52123965,
0
],
[
0,
0,
4.52123965
]
] | agm002600593 | [
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0
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[
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[
2.260619825,
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0
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[
0,
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0
],
[
2.260619825,
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2.260619825
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] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"Zn",
"Zn",
"Zn",
"Si",
"Ta"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
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0,
0
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[
0,
2.741595,
0
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[
0,
0,
2.741595
]
] | -15.898816 | [
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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
]
] | 0 | 4.008842 | pbe | true | 68291e2c3cf92623e737da25de77254b_221_Ta1Zn3Si1 |
[
"Sn",
"Tb",
"Y"
] | 10 | A7B2C | Sn7TbY2 | Sn7 Tb1 Y2 | 3 | [
1,
1,
1
] | 3 | [
[
2.203170283,
-13.261184717,
0
],
[
2.203170283,
13.261184717,
0
],
[
0,
0,
4.464722543
]
] | oqmd-6233982 | [
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0
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[
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0
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[
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[
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2.2323600000000003
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[
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4.119446... | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
"Tb",
"Y",
"Y"
] | 2024-11-01 00:00:00 | [
0.7,
0.1,
0.2
] | [
[
3.9898279,
0,
0
],
[
0,
4.44300107,
0
],
[
0,
0,
3.20524373
]
] | -51.099 | [
0,
0,
0,
0,
0,
0.001,
0,
0,
0,
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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[
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0
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[
0,
0,
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[
0,
-0.019971,
0
],
[
... | 0.008153 | null | pbe | true | 5cebf7f1571b4a9ef73338a9f0e173ff_65_Tb1Y2Sn7 |
[
"Sn",
"Th",
"Tm"
] | 18 | A5B3C | Sn5Th3Tm | Tm2 Th6 Sn10 | 3 | [
1,
1,
1
] | 3 | [
[
6.41884336,
0,
0
],
[
0,
8.27693113,
-4.77868807
],
[
0,
0,
9.55737714
]
] | agm005967140 | [
[
0,
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[
3.20942168,
0,
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[
4.81413252,
3.17444568520642,
7.724610201807668
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[
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[
4.81413252,
8.27693113,
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],
[
1.60471084,
5.1024854447935795,
... | [{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}] | [
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"Th",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn"
] | 2023-11-16 06:57:59 | [
0.5555555555555556,
0.3333333333333333,
0.1111111111111111
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[
2.403166,
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0
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[
0,
2.4652283,
1.5e-7
],
[
0,
1.5e-7,
2.4652286
]
] | -104.163295 | [
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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,
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[
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0,
0.00025... | 0.000001 | 14.768874 | pbe | true | 94d361713c12b917599e9adba98bda12_193_Tm2Th6Sn10 |
[
"Sn",
"Th",
"U"
] | 8 | A6BC | Sn6ThU | Th1 U1 Sn6 | 3 | [
1,
1,
1
] | 3 | [
[
4.69608323,
0,
0
],
[
0,
4.69608323,
0
],
[
0,
0,
9.36599094
]
] | agm003774668 | [
[
0,
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[
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4.68299547
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[
2.348041615,
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0
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4.68299547
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[
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2.3983578230575553
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[
2.348041615,
0,
6.967633116942444
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[
0,
2.348041615,
2... | [{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}] | [
"Th",
"U",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn"
] | 2023-11-16 06:57:59 | [
0.75,
0.125,
0.125
] | [
[
4.5799665,
0,
0
],
[
0,
4.5799665,
0
],
[
0,
0,
4.200681
]
] | -45.07436 | [
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2.24,
0.015,
-0.014,
0.003,
0.003,
0.003,
0.003
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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,
0,
0.00446303
],
[
0,
0,
-0.00446303
]
] | 2.420705 | 10.338975 | pbe | true | 84f563a3de8309898692ea6e12e201bc_123_Th1U1Sn6 |
[
"Sn",
"Tl",
"Tm"
] | 16 | A2BC | SnTlTm2 | Tm8 Tl4 Sn4 | 3 | [
1,
1,
1
] | 3 | [
[
3.59415484,
0,
0
],
[
0,
8.72565162,
0
],
[
0,
0,
14.54753273
]
] | agm003625835 | [
[
2.69561613,
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7.282976262496036
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[
0.89853871,
6.099212594794179,
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[
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14.538322832503965
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[
0.89853871,
1.7363867847941792,
0.0092098974960357
],
[
2.69561613,
1.80571810... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}] | [
"Tm",
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"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tl",
"Tl",
"Tl",
"Tl",
"Sn",
"Sn",
"Sn",
"Sn"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
4.7181234,
0,
0
],
[
0,
1.4277991,
0
],
[
0,
0,
1.8743716
]
] | -67.148972 | [
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[
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[
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[
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[
0,
-0.00099234,
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[
0,
0.00099234,
... | -0.000004 | 12.986423 | pbe | true | 303785b83c3b6feee43f391ae448ecbc_62_Tm8Tl4Sn4 |
[
"Ac",
"Ag",
"Au",
"Pd"
] | 12 | A3BCD | AcAgAuPd3 | Ac2 Ag2 Pd6 Au2 | 4 | [
1,
1,
1
] | 3 | [
[
6.07893314,
0,
0
],
[
0,
5.93878941,
0
],
[
0,
-2.96939471,
6.91021285
]
] | agm005045342 | [
[
4.559199855,
2.6401063876066986e-8,
4.550905105948466
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[
1.519733285,
2.9693946735989365,
2.359307744051533
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[
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5.323695354215287
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[
4.559199855,
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1.5865174957847124
],
[
1.519733285... | [{"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Ac",
"Ac",
"Ag",
"Ag",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Au",
"Au"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.16666666666666666,
0.16666666666666666,
0.5
] | [
[
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0,
0
],
[
0,
4.8416452,
0
],
[
0,
0,
4.7491136
]
] | -56.12014 | [
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0,
0,
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0,
0,
0,
0
] | [
[
0,
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[
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[
0,
0,
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[
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[
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[
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0
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[
0,
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0
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[
0,
0.00287864,
0
],
[
0,... | 0 | 4.293519 | pbe | true | 90c69aca4f7b9bc278b8a9392536be55_63_Ac2Ag2Pd6Au2 |
[
"Ac",
"C",
"I",
"O"
] | 20 | A6B2CD | AcC2IO6 | Ac2 C4 I2 O12 | 4 | [
1,
1,
1
] | 3 | [
[
6.93889984,
0.4338104,
-0.60588505
],
[
-0.41897156,
6.93981162,
-0.60588505
],
[
-2.48735203,
-2.81303611,
7.29566827
]
] | agm004945152 | [
[
3.2391534163367166,
2.4521096632043733,
1.2180320175000001
],
[
0.7934228336632841,
2.108476246795627,
4.8658661525
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[
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4.935256137160431
],
[
4.008854425055875,
2.49018853234663,
4.796476167839569
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[
3... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}] | [
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"O",
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"O",
"O",
"O",
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] | 2023-11-16 06:57:59 | [
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[
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[
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1
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[
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1,
1
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[
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1
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[
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0.001... | 0 | 3.689648 | pbe | true | 889999b9c83f912fc492c7ba38403f57_166_Na1Sr2Al3Ag12 |
[
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1
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[
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1
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] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
1.8270872,
0,
0
],
[
0,
1.8270872,
0
],
[
0,
0,
1.6487929
]
] | -14.666228 | [
-0.245,
-0.245,
2.241,
-0.095,
-0.045
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.180089 | 6.441848 | pbe | true | 1b82f523104eef2d3b99ada844d7f5ea_123_Co1Ag1As2Br1 |
[
"Ag",
"As",
"C",
"Se"
] | 5 | A2BCD | AgAs2CSe | Ag1 As2 C1 Se1 | 4 | [
1,
1,
1
] | 3 | [
[
4.99843761,
0,
0
],
[
0,
4.99843761,
0
],
[
0,
0,
5.08113709
]
] | agm001676087 | [
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2.499218805,
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2.540568545
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[
0,
2.499218805,
0
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[
2.499218805,
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[
0,
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2.540568545
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[
0,
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] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"C",
"As",
"As",
"Se",
"Ag"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
0.14430177,
0,
0
],
[
0,
0.14430177,
0
],
[
0,
0,
0.06274185
]
] | -14.080256 | [
0.752,
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-0.218,
-0.029,
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] | [
[
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[
0,
0,
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[
0,
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0
],
[
0,
0,
0
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[
0,
0,
0
]
] | 0.585046 | 4.954769 | pbe | true | e67da04ecced49c0f03b3be1a60338c6_123_Ag1As2C1Se1 |
[
"Ag",
"As",
"Cr",
"F"
] | 9 | A6BCD | AgAsCrF6 | Cr1 Ag1 As1 F6 | 4 | [
1,
1,
1
] | 3 | [
[
5.79235598,
-0.21779431,
0.09975371
],
[
2.72294365,
5.05265217,
0.03507183
],
[
0.06148681,
0.00078924,
4.71659373
]
] | agm005097055 | [
[
5.7214054642010534,
3.34217230402676,
2.4838059296018695
],
[
5.87267570808499,
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[
2.821563748796261,
1.7083149182092794,
2.2717623834898477
],
[
6.684602302949735,
1.8252699649777202,
1.50741058995281
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[
... | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Cr",
"Ag",
"As",
"F",
"F",
"F",
"F",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.1111111111111111,
0.1111111111111111,
0.1111111111111111,
0.6666666666666666
] | [
[
3.0697148,
0.2613219,
1.3217059
],
[
0.26132172,
3.8198664,
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],
[
1.3217058,
-0.5974517,
7.698347
]
] | -43.944849 | [
3.806,
0,
0.01,
-0.006,
-0.002,
-0.005,
0.008,
0.01,
0.001
] | [
[
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0.00174546
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[
0.0013099,
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[
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0.0005096,
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[
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0.00397166
],
[
0.00020859,
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0.00103559
],
[
-0.00010239,
0.0019751... | 4 | 0 | pbe | true | 191a512ef38b4f225815f5a91b3f8f2e_1_Cr1Ag1As1F6 |
[
"Ag",
"As",
"La",
"Sr"
] | 5 | A2BCD | AgAsLaSr2 | Sr2 La1 Ag1 As1 | 4 | [
1,
1,
1
] | 3 | [
[
6.30551447,
0,
0
],
[
0,
5.30311467,
0
],
[
0,
0,
6.30551447
]
] | agm001603907 | [
[
0,
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],
[
3.152757235,
0,
0
],
[
3.152757235,
2.651557335,
3.152757235
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[
0,
2.651557335,
0
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[
0,
0,
0
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"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"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Sr",
"Sr",
"As",
"Ag",
"La"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
1.0572146,
0,
0
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[
0,
0.644662,
0
],
[
0,
0,
1.0572146
]
] | -11.455297 | [
0.114,
0.063,
-0.001,
0.01,
0.365
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.182929 | 5.936708 | pbe | true | 922f2332e36d086f221b6236aae2ada3_123_Sr2La1Ag1As1 |
[
"Ag",
"Au",
"Be",
"Ge"
] | 5 | A2BCD | AgAuBeGe2 | Be1 Ag1 Ge2 Au1 | 4 | [
1,
1,
1
] | 3 | [
[
4.48175788,
0,
0
],
[
0,
4.55735105,
0
],
[
0,
0,
4.48175788
]
] | agm001477609 | [
[
0,
0,
0
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[
0,
0,
2.24087894
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[
2.24087894,
0,
0
],
[
0,
2.278675525,
0
],
[
2.24087894,
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2.24087894
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}] | [
"Be",
"Ge",
"Ge",
"Au",
"Ag"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
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0,
0
],
[
0,
10.075668,
0
],
[
0,
0,
-0.37076327
]
] | -17.36177 | [
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 | 1.724277 | pbe | true | 737d50e746a0468320f3429a75619a8e_123_Be1Ag1Ge2Au1 |
[
"Ag",
"Au",
"Nd",
"Zr"
] | 4 | ABCD | AgAuNdZr | Nd1 Zr1 Ag1 Au1 | 4 | [
1,
1,
1
] | 3 | [
[
5.08104933,
0,
0
],
[
2.54052467,
4.4003178,
0
],
[
2.54052467,
1.4667726,
4.14865941
]
] | agm001349804 | [
[
0,
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0
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[
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],
[
5.0810493349999994,
2.9335452,
2.074329705
],
[
2.5405246674999997,
1.4667726,
1.0371648525
]
] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}] | [
"Nd",
"Au",
"Zr",
"Ag"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
3.6455228,
0,
0
],
[
0,
3.6455228,
0
],
[
0,
0,
3.6455228
]
] | -20.515321 | [
0.14,
0.045,
0.534,
0.029
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.141148 | 4.543037 | pbe | true | 0bc8c8ae6dcd9c18b7cbd73abbcd9a5e_216_Nd1Zr1Ag1Au1 |
[
"Ag",
"Ba",
"Ce",
"Se"
] | 18 | A5B2CD | AgBa2CeSe5 | Ba4 Ce2 Ag2 Se10 | 4 | [
1,
1,
1
] | 3 | [
[
4.34850697,
0,
0
],
[
-2.17425349,
9.48429779,
0
],
[
0,
0,
13.1908069
]
] | agm005156204 | [
[
2.1742534812297127,
7.151705311725057,
10.903107451743685
],
[
-2.2925407595393573e-8,
2.2437434817352444,
9.097446519253658
],
[
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2.3325924782749423,
4.307704001743685
],
[
2.1742535029254073,
7.2405543082647545,
2.502043069253658... | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Ba",
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"Ag",
"Ag",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.1111111111111111,
0.2222222222222222,
0.1111111111111111,
0.5555555555555556
] | [
[
1.3106058,
0,
0
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[
0,
1.2781428,
0
],
[
0,
0,
1.252321
]
] | -86.235237 | [
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
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0,
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[
0,
0.00265821,
0.00111436
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[
0,
0.00143768,
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[
0,
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[
0,
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[
0,
0.0010744,
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[
0,
0.00147144,
0.00... | -0.00001 | 8.979974 | pbe | true | bb76709ca2b639022d44b9b2d0ef13fa_36_Ba4Ce2Ag2Se10 |
[
"Ag",
"Ba",
"I",
"P"
] | 11 | A6B2C2D | Ag2Ba6I2P | Ba6 Ag2 P1 I2 | 4 | [
1,
1,
1
] | 3 | [
[
8.43890719,
0.06053134,
0.06162765
],
[
-4.1183695,
7.36599289,
0.06162765
],
[
-1.55827817,
-2.67850704,
8.13235175
]
] | agm004587988 | [
[
2.152926296191311,
3.700641084089691,
5.843072580466375
],
[
-2.01091806047056,
0.9379683998192069,
5.912491414317994
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[
0.6093332238086894,
1.0473761059103095,
2.412534469533625
],
[
1.8093013580662558,
-1.284525120364911,
5.912491414317994
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[
... | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Ba",
"Ba",
"Ba",
"Ba",
"Ba",
"Ba",
"Ag",
"Ag",
"P",
"I",
"I"
] | 2023-11-16 06:57:59 | [
0.18181818181818182,
0.5454545454545454,
0.18181818181818182,
0.09090909090909091
] | [
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[
0.01301582,
0.628439,
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],
[
-0.01021348,
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0.70558566
]
] | -34.247772 | [
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0.013,
0.013,
0.007,
0.007,
0.003,
0.001,
0.001
] | [
[
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[
0.00213074,
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0.00472824
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[
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0.00152162
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[
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],
[
-0.00213074,
0.00263948,
-0.00472824
],
[
0.00334767,
-0.00054... | 0.397116 | 11.601295 | pbe | true | 8f5229a1b612a5471572a3b3559ab005_12_Ba6Ag2P1I2 |
[
"Ag",
"Ba",
"Pb",
"Tl"
] | 5 | A2BCD | AgBaPb2Tl | Ba1 Tl1 Ag1 Pb2 | 4 | [
1,
1,
1
] | 3 | [
[
5.0160362,
0,
0
],
[
0,
5.0160362,
0
],
[
-2.5080181,
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6.56533259
]
] | agm005021407 | [
[
0,
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[
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0,
3.282666295
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[
0,
2.5080181,
3.282666295
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[
2.5080180749198195,
2.5080180749198195,
1.5332561524299158
],
[
2.5080180868208104e-8,
2.5080180868208104e-8,
5.032076437570084
]
] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"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": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Ba",
"Tl",
"Ag",
"Pb",
"Pb"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
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0,
0
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[
0,
4.131781,
0
],
[
0,
0,
4.3914747
]
] | -15.536119 | [
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] | [
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[
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[
0,
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[
0,
0,
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],
[
0,
0,
0.00334099
]
] | -0.000001 | 2.792869 | pbe | true | 43db945b263a320a4c349130fcc58ab5_119_Ba1Tl1Ag1Pb2 |
[
"Ag",
"Be",
"Pd",
"Y"
] | 20 | A5B2C2D | AgBe2Pd5Y2 | Y4 Be4 Ag2 Pd10 | 4 | [
1,
1,
1
] | 3 | [
[
3.55237451,
0,
0
],
[
0,
9.57993841,
0
],
[
0,
0,
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]
] | agm005135495 | [
[
0,
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[
0,
3.070678638622418,
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[
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[
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6.509259771377582
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[
0,
1.125115770763066,
5.915084975763066
],
[
0,
... | [{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
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"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.1,
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0.5,
0.2
] | [
[
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0
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[
0,
3.7285414,
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],
[
0,
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] | -111.827572 | [
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[
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-0.00009127,
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[
0,
0.00009127,
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],
[
0,
-0.00009127,
0.00009127
],
[
0,
-0.00232248,
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],
[
0,
0.00232248,
0.00232248
],
[
0,
-0.00232248,
... | -0.000002 | 5.172188 | pbe | true | e3e749a9831931d72986245538dafd07_127_Y4Be4Ag2Pd10 |
[
"Ag",
"Bi",
"Gd",
"In"
] | 4 | ABCD | AgBiGdIn | Gd1 In1 Ag1 Bi1 | 4 | [
1,
1,
1
] | 3 | [
[
5.33654166,
0,
0
],
[
2.66827083,
4.62158065,
0
],
[
2.66827083,
1.54052688,
4.35726802
]
] | agm001353484 | [
[
0,
0,
0
],
[
8.004812489999999,
4.6215806475,
3.2679510150000004
],
[
2.66827083,
1.5405268825,
1.089317005
],
[
5.33654166,
3.081053765,
2.17863401
]
] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Gd",
"Bi",
"Ag",
"In"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
3.2167141,
0,
0
],
[
0,
3.2167141,
0
],
[
0,
0,
3.2167141
]
] | -24.379884 | [
6.989,
0.031,
-0.013,
0.008
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 7.146928 | 2.916931 | pbe | true | d5b5c3f1fb9d7cc9287c6df3391b6942_216_Gd1In1Ag1Bi1 |
[
"Ag",
"Bi",
"Gd",
"Sr"
] | 4 | ABCD | AgBiGdSr | Sr1 Gd1 Ag1 Bi1 | 4 | [
1,
1,
1
] | 3 | [
[
5.5343034,
0,
0
],
[
2.7671517,
4.79284733,
0
],
[
2.7671517,
1.59761578,
4.5187398
]
] | agm001354140 | [
[
2.7671517,
1.5976157775,
1.12968495
],
[
8.3014551,
4.792847332499999,
3.38905485
],
[
0,
0,
0
],
[
5.5343034,
3.195231555,
2.2593699
]
] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Sr",
"Gd",
"Bi",
"Ag"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
1.8423074,
0,
0
],
[
0,
1.8423074,
0
],
[
0,
0,
1.8423074
]
] | -24.392078 | [
0.047,
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-0.074,
0.008
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 7.516923 | 6.842444 | pbe | true | c4f89e639a77e233629a938eddac437d_216_Sr1Gd1Ag1Bi1 |
[
"Ag",
"Br",
"K",
"Tl"
] | 10 | A6B2CD | AgBr6K2Tl | K2 Tl1 Ag1 Br6 | 4 | [
1,
1,
1
] | 3 | [
[
7.89548819,
0,
0
],
[
3.9477441,
6.83769335,
0
],
[
3.9477441,
2.27923112,
6.44663911
]
] | agm003205711 | [
[
11.843232292499998,
6.8376933525,
4.8349793325
],
[
3.9477440974999998,
2.2792311175,
1.6116597775
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[
0,
0,
0
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[
7.8954881949999995,
4.558462235,
3.223319555
],
[
7.8954881925277505,
2.3045307652427396,
1.6295493299630321
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[
... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"K",
"K",
"Tl",
"Ag",
"Br",
"Br",
"Br",
"Br",
"Br",
"Br"
] | 2023-11-16 06:57:59 | [
0.1,
0.6,
0.2,
0.1
] | [
[
1.4667152,
0,
0
],
[
0,
1.4667152,
0
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[
0,
0,
1.4667152
]
] | -26.803667 | [
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0,
0,
0,
0,
0,
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,
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0.00016364
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[
-0.00020042,
0.00011571,
-0.0001... | -0.000001 | 2.289882 | pbe | true | 62fe41e5d9188a8ff0fa34e0e54205cc_225_K2Tl1Ag1Br6 |
[
"Ag",
"Ca",
"Nd",
"Ru"
] | 4 | ABCD | AgCaNdRu | Ca1 Nd1 Ag1 Ru1 | 4 | [
1,
1,
1
] | 3 | [
[
5.06647863,
0,
0
],
[
2.53323931,
4.3876992,
0
],
[
2.53323931,
1.4625664,
4.13676248
]
] | agm001309671 | [
[
7.5997179375,
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3.10257186
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[
0,
0,
0
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[
5.066478625,
2.9251328,
2.06838124
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[
2.5332393125,
1.4625664,
1.03419062
]
] | [{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Ru",
"Ca",
"Nd",
"Ag"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
3.6412442,
0,
0
],
[
0,
3.6412442,
0
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[
0,
0,
3.6412442
]
] | -19.202729 | [
0,
0,
0,
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
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[
0,
0,
0
]
] | -0.000001 | 2.212383 | pbe | true | 3999bc19cc2316ad5b01ecb045f62886_216_Ca1Nd1Ag1Ru1 |
[
"Ag",
"Ca",
"S",
"Sm"
] | 15 | A8B3C3D | AgCa3S8Sm3 | Ca3 Sm3 Ag1 S8 | 4 | [
1,
1,
1
] | 3 | [
[
8.02259367,
-0.00001094,
-0.0000037
],
[
-4.01130629,
6.94749137,
-0.02413038
],
[
0.00000323,
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6.58459799
]
] | agm004693545 | [
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0,
0,
0
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[
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[
2.0056436899999994,
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[
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[
2.0056453049999994,
1.1693368949999998,
3.280231955
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[
-2.00565153,
1.16934... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Ca",
"Ca",
"Ca",
"Sm",
"Sm",
"Sm",
"Ag",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.06666666666666667,
0.2,
0.5333333333333333,
0.2
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[
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[
0.00043519,
0.5684789,
0.00048954
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[
0.00006704,
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]
] | -82.954956 | [
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0,
0,
0,
0,
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0,
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0,
0,
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0,
0,
0,
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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[
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[
-0.00000373,
0.00004265,
0.00369535
],
... | 0 | 0.964872 | pbe | true | aded227cd246c8f6016a897c50b08206_166_Ca3Sm3Ag1S8 |
[
"Ag",
"Cd",
"Cl",
"Li"
] | 10 | A6B2CD | Ag2CdCl6Li | Li1 Cd1 Ag2 Cl6 | 4 | [
1,
1,
1
] | 3 | [
[
6.65535245,
-0.00272862,
0.02002816
],
[
3.32529647,
5.76160282,
0.02022637
],
[
3.34465092,
1.93054453,
6.10764496
]
] | agm004958244 | [
[
3.3402050978396534,
1.9210896805427955,
0.4103705611792197
],
[
9.989256281901827,
5.769727236519233,
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[
6.662069519266007,
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2.874484482025977
],
[
3.342544538782344,
1.930022234893954,
5.888664991892219
],
[
... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Li",
"Cd",
"Ag",
"Ag",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.2,
0.1,
0.6,
0.1
] | [
[
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[
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2.0241966,
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[
0.02223229,
0.01708976,
2.0777197
]
] | -28.184579 | [
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0,
0,
0,
0,
0,
0,
0,
0,
0
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[
0.00144805,
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[
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[
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[
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[
0.00051176,
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[
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0.00159... | -0.000146 | 5.895186 | pbe | true | 9df1b1c6743edc38274fa4c8f39a3999_1_Li1Cd1Ag2Cl6 |
[
"Ag",
"Cd",
"Lu",
"Tb"
] | 4 | ABCD | AgCdLuTb | Tb1 Lu1 Cd1 Ag1 | 4 | [
1,
1,
1
] | 3 | [
[
5.17954855,
0,
0
],
[
2.58977427,
4.48562062,
0
],
[
2.58977427,
1.49520687,
4.22908368
]
] | agm001324715 | [
[
0,
0,
0
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[
5.179548544999999,
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2.11454184
],
[
2.5897742724999997,
1.4952068724999998,
1.05727092
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[
7.769322817499999,
4.4856206175,
3.17181276
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}] | [
"Lu",
"Tb",
"Ag",
"Cd"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
3.4868052,
0,
0
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[
0,
3.4868052,
0
],
[
0,
0,
3.4868052
]
] | -14.132668 | [
0,
0,
0,
0
] | [
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0,
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000154 | 4.459415 | pbe | true | c78b9f3e3d7d2abc0177555a5e95a302_216_Tb1Lu1Cd1Ag1 |
[
"Ag",
"Ce",
"Cs",
"Se"
] | 8 | A4B2CD | AgCeCs2Se4 | Cs2 Ce1 Ag1 Se4 | 4 | [
1,
1,
1
] | 3 | [
[
7.35670628,
0.21101883,
0.32327343
],
[
-2.94373736,
6.74537374,
-0.32327294
],
[
-2.94373804,
-3.01050069,
6.04495277
]
] | agm004765777 | [
[
0.73461561,
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1.4304202025
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[
0,
0,
0
],
[
0.73461527,
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[
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],
[
2.025776576668415,
1.0813652181709963,
2.7539292408159812
],
[
-1.9... | [{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}] | [
"Cs",
"Cs",
"Ce",
"Ag",
"Se",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.125,
0.125,
0.25,
0.5
] | [
[
0.96126986,
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[
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[
-0.02124205,
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]
] | -32.055107 | [
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0,
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0,
0,
0,
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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[
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[
-0.00049142,
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[
-0.00404996,
0.001... | 0.000244 | 5.050064 | pbe | true | 27ace36743f75e95555709a49ccbcc43_82_Cs2Ce1Ag1Se4 |
[
"Ag",
"Cd",
"P",
"Se"
] | 16 | A4B2CD | Ag2CdPSe4 | Cd2 Ag4 P2 Se8 | 4 | [
1,
1,
1
] | 3 | [
[
7.85728181,
-0.0240531,
-0.09973487
],
[
-0.02956859,
7.85725758,
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],
[
-3.91334489,
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5.63787768
]
] | agm004765548 | [
[
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5.588002512590394
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[
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[
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],
[
1.9423864597586633,
5.887193940442708,
2.669314531400705
... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
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"Ag",
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"P",
"P",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.25,
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0.125,
0.5
] | [
[
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[
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],
[
0.01539102,
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]
] | -53.006735 | [
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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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[
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1,
1,
1
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0,
0
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[
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1,
1,
1
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[
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1,
1,
1
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0,
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] | 0 | 0 | pbe | true | 08199e04ec1f333e1b7451805fe0c6eb_129_Ag2Pb2Cl2O2 |
[
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1,
1,
1
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[
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0,
0
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0,
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] | 1.99174 | 3.567702 | pbe | true | 7ce55ce5f1f08a23f2596e8618989c92_123_Hf1Ta2Co1Ag1 |
[
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1,
1,
1
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0,
0
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[
0,
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] | 7.993616 | 1.25774 | pbe | true | e2951e75dd08bc8728d55e21d9447ef6_123_Cr2Ag1Ge1O1 |
[
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1,
1,
1
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[
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0,
0
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[
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[
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-0.0... | 1.963395 | -0.153508 | pbe | true | 3246467e7b4a0f8b1f0ca3ebe82c0015_12_Pm3Cr1Ag3O8 |
[
"Ag",
"Cr",
"Te",
"Ti"
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1,
1,
1
] | 3 | [
[
6.67396566,
-0.06085126,
0.31530009
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[
-3.35155431,
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[
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[
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5.02914320270... | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
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[
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-0.... | 1.793903 | 4.955804 | pbe | true | 6f9219de9c22b49d76bd92cff94f7459_12_Ti2Cr1Ag2Te6 |
[
"Ag",
"Cs",
"I",
"Pr"
] | 10 | A6B2CD | AgCs2I6Pr | Cs2 Pr1 Ag1 I6 | 4 | [
1,
1,
1
] | 3 | [
[
8.7445673,
0,
0
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[
4.37228365,
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0
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[
4.37228365,
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[
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3.7699107... | [{"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}] | [
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[
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[
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[
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... | 0 | 0 | pbe | true | 62ea2fbb0e98c4f8a19524e762a3e174_225_Cs2Pr1Ag1I6 |
[
"Ag",
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"Rb"
] | 5 | A2BCD | AgCsPtRb2 | Cs1 Rb2 Ag1 Pt1 | 4 | [
1,
1,
1
] | 3 | [
[
6.3591722,
0,
0
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[
0,
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[
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] | agm001634356 | [
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] | [{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}] | [
"Cs",
"Rb",
"Rb",
"Ag",
"Pt"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
1.4281752,
0,
0
],
[
0,
1.4281752,
0
],
[
0,
0,
1.4096802
]
] | -11.023216 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 2.384352 | pbe | true | 7201940ff39ca56703ccc889e2630bf7_123_Cs1Rb2Ag1Pt1 |
[
"Ag",
"Cs",
"S",
"Sr"
] | 12 | A3BCD | AgCsS3Sr | Cs2 Sr2 Ag2 S6 | 4 | [
1,
1,
1
] | 3 | [
[
4.45061514,
0,
0
],
[
0,
9.41342941,
0.52794178
],
[
0,
-2.90556559,
9.72966221
]
] | agm002353850 | [
[
3.337961355,
1.207608360105074,
2.3270935187713437
],
[
1.112653785,
5.3002554598949265,
7.930510471228658
],
[
1.112653785,
0.6359378745313026,
8.504421944310002
],
[
3.337961355,
5.871925945468698,
1.7531820456899991
],
[
1.112653785,
-0.07... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}] | [
"Cs",
"Cs",
"Sr",
"Sr",
"S",
"S",
"S",
"S",
"S",
"S",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.16666666666666666,
0.5,
0.16666666666666666
] | [
[
0.8075264,
0,
0
],
[
0,
0.600018,
0.03524047
],
[
0,
0.03524032,
0.7306711
]
] | -44.902341 | [
0.006,
0.006,
0.002,
0.002,
0.074,
0.125,
0.243,
0.074,
0.243,
0.125,
0.058,
0.058
] | [
[
0,
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],
[
0,
-0.00424952,
0.00094072
],
[
0,
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],
[
0,
0.00127532,
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[
0,
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],
[
0,
0.00172636,
-0.00245054
],
[
0,
0.00049358,
... | 1.646039 | 16.247458 | pbe | true | 1fd0777d556d290963dab1b739a90483_11_Cs2Sr2Ag2S6 |
[
"Ag",
"Cu",
"F",
"Sn"
] | 5 | A2BCD | Ag2CuFSn | Cu1 Ag2 Sn1 F1 | 4 | [
1,
1,
1
] | 3 | [
[
5.00820181,
0,
0
],
[
0,
3.7771281,
0
],
[
0,
0,
5.00820181
]
] | agm001511621 | [
[
0,
1.88856405,
0
],
[
2.504100905,
1.88856405,
2.504100905
],
[
0,
0,
2.504100905
],
[
2.504100905,
0,
0
],
[
0,
0,
0
]
] | [{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Cu",
"Sn",
"Ag",
"Ag",
"F"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
1.1749418,
0,
0
],
[
0,
-1.7897445,
0
],
[
0,
0,
1.1749418
]
] | -16.258341 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 1.603563 | pbe | true | fa6b7328cc8766e64eebecaa9ab369d3_123_Cu1Ag2Sn1F1 |
[
"Ag",
"Cu",
"H",
"Zr"
] | 5 | A2BCD | AgCuHZr2 | Zr2 Cu1 Ag1 H1 | 4 | [
1,
1,
1
] | 3 | [
[
4.29548134,
0,
0
],
[
0,
4.29548134,
0
],
[
0,
0,
4.22299943
]
] | agm001644584 | [
[
0,
0,
0
],
[
2.14774067,
2.14774067,
2.111499715
],
[
0,
2.14774067,
0
],
[
2.14774067,
0,
0
],
[
0,
0,
2.111499715
]
] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"H",
"Cu",
"Zr",
"Zr",
"Ag"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
-1.6614105,
0,
0
],
[
0,
-1.6614105,
0
],
[
0,
0,
-2.0572152
]
] | -27.752531 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000125 | 5.031972 | pbe | true | 5c5f34c79b94ed1752c236f35f587be6_123_Zr2Cu1Ag1H1 |
[
"Ag",
"Cu",
"In",
"W"
] | 5 | A2BCD | AgCu2InW | In1 Cu2 Ag1 W1 | 4 | [
1,
1,
1
] | 3 | [
[
4.75082646,
0,
0
],
[
0,
5.21395549,
0
],
[
0,
0,
4.75082646
]
] | agm001440384 | [
[
0,
0,
2.37541323
],
[
2.37541323,
0,
0
],
[
0,
2.606977745,
0
],
[
0,
0,
0
],
[
2.37541323,
2.606977745,
2.37541323
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Cu",
"Cu",
"Ag",
"W",
"In"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
-3.6748285,
0,
0
],
[
0,
-0.47403052,
0
],
[
0,
0,
-3.6748285
]
] | -19.539538 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 5.731988 | pbe | true | 43e290d5fc5f30bcd5b99377cdfcd415_123_In1Cu2Ag1W1 |
[
"Al",
"Pu",
"Re",
"Si"
] | 5 | A2BCD | AlPuReSi2 | Pu1 Al1 Re1 Si2 | 4 | [
1,
1,
1
] | 3 | [
[
3.93431131,
0,
0
],
[
0,
3.93431131,
0
],
[
-1.96715566,
-1.96715565,
5.45407866
]
] | agm005005856 | [
[
0,
0,
0
],
[
-2.4999999848063226e-9,
1.9671556575,
2.72703933
],
[
1.9671556525,
2.4999999848063226e-9,
2.72703933
],
[
1.9671556539140647,
1.9671556560859356,
1.184555418255713
],
[
-3.914064524801414e-9,
3.9140646276233585e-9,
4.2695232... | [{"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"Pu",
"Al",
"Re",
"Si",
"Si"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
5.342737,
0,
0
],
[
0,
5.342737,
0
],
[
0,
0,
4.9874015
]
] | -43.149949 | [
4.996,
-0.004,
-0.335,
-0.019,
-0.019
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00678036
],
[
0,
0,
-0.00678036
]
] | 4.831726 | 9.470984 | pbe | true | 3c36c4cb79038eec60ee436cad2538d9_119_Pu1Al1Re1Si2 |
[
"Ag",
"Dy",
"Lu",
"Pb"
] | 4 | ABCD | AgDyLuPb | Dy1 Lu1 Ag1 Pb1 | 4 | [
1,
1,
1
] | 3 | [
[
5.2367917,
0,
0
],
[
2.61839585,
4.53519464,
0
],
[
2.61839585,
1.51173155,
4.27582251
]
] | agm001354357 | [
[
7.85518755,
4.5351946425000005,
3.2068668825
],
[
5.2367917,
3.0234630950000003,
2.137911255
],
[
2.61839585,
1.5117315475000002,
1.0689556275
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}] | [
"Pb",
"Lu",
"Ag",
"Dy"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
3.0741751,
0,
0
],
[
0,
3.0741751,
0
],
[
0,
0,
3.0741751
]
] | -17.104374 | [
-0.011,
0.148,
0.015,
0.171
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.474305 | 3.759656 | pbe | true | effb1e77bac8b68b38fb507f1c22d039_216_Dy1Lu1Ag1Pb1 |
[
"Ag",
"Eu",
"Li",
"Na"
] | 4 | ABCD | AgEuLiNa | Na1 Li1 Eu1 Ag1 | 4 | [
1,
1,
1
] | 3 | [
[
5.36372704,
0,
0
],
[
2.68186352,
4.64512388,
0
],
[
2.68186352,
1.54837463,
4.37946479
]
] | agm001350093 | [
[
5.36372704,
3.0967492549999998,
2.189732395
],
[
0,
0,
0
],
[
2.68186352,
1.5483746274999999,
1.0948661975
],
[
8.045590559999999,
4.6451238825,
3.2845985925
]
] | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"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"]}, {"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}] | [
"Eu",
"Na",
"Ag",
"Li"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
2.1525767,
0,
0
],
[
0,
2.1525767,
0
],
[
0,
0,
2.1525767
]
] | -16.404467 | [
-6.923,
-0.004,
-0.003,
-0.031
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -7.38779 | 13.144025 | pbe | true | b8aedd97bfb89384fab732cfcd352d33_216_Na1Li1Eu1Ag1 |
[
"Ag",
"Fe",
"I",
"N"
] | 5 | A2BCD | AgFeI2N | Fe1 Ag1 I2 N1 | 4 | [
1,
1,
1
] | 3 | [
[
5.7072574,
0,
0
],
[
0,
5.7072574,
0
],
[
0,
0,
3.82201914
]
] | agm001703271 | [
[
0,
2.8536287,
0
],
[
2.8536287,
0,
0
],
[
2.8536287,
2.8536287,
1.91100957
],
[
0,
0,
0
],
[
0,
0,
1.91100957
]
] | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"I",
"I",
"Fe",
"Ag",
"N"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
31.00268,
0,
0
],
[
0,
31.00268,
0
],
[
0,
0,
38.97714
]
] | -15.664027 | [
0.038,
0.038,
3.219,
0.004,
0.031
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.542623 | 8.448905 | pbe | true | eaf91ae6065381bf5d8d40504ac69d2e_123_Fe1Ag1I2N1 |
[
"Ag",
"Ga",
"Hf",
"Sc"
] | 4 | ABCD | AgGaHfSc | Hf1 Sc1 Ga1 Ag1 | 4 | [
1,
1,
1
] | 3 | [
[
4.78739023,
0,
0
],
[
2.39369511,
4.14600155,
0
],
[
2.39369511,
1.38200052,
3.90888775
]
] | agm001348380 | [
[
4.787390224999999,
2.764001035,
1.954443875
],
[
0,
0,
0
],
[
7.181085337499999,
4.1460015525,
2.9316658125
],
[
2.3936951124999997,
1.3820005175,
0.9772219375
]
] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Sc",
"Hf",
"Ga",
"Ag"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
4.139056,
0,
0
],
[
0,
4.139056,
0
],
[
0,
0,
4.139056
]
] | -23.299871 | [
0.272,
0.297,
-0.018,
0.034
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.850191 | 2.515456 | pbe | true | 728249fa819d7103720adf737719271f_216_Hf1Sc1Ga1Ag1 |
[
"Ag",
"Ga",
"Pd",
"Sr"
] | 5 | A2BCD | AgGa2PdSr | Sr1 Ga2 Ag1 Pd1 | 4 | [
1,
1,
1
] | 3 | [
[
4.6046438,
0,
0
],
[
0,
4.6046438,
0
],
[
-2.3023219,
-2.3023219,
5.08138476
]
] | agm005021325 | [
[
0,
0,
0
],
[
2.3023219000000004,
2.3023219000000004,
1.3161390196909488
],
[
2.465318505133496e-17,
2.465318505133496e-17,
3.765245740309051
],
[
0,
2.3023219,
2.54069238
],
[
2.3023219,
0,
2.54069238
]
] | [{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Sr",
"Ga",
"Ga",
"Ag",
"Pd"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
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0
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[
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4.290877,
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[
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] | -18.26224 | [
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[
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[
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] | -0 | 2.962392 | pbe | true | 54ad8f744b705015b61ea5bcdf4c802d_119_Sr1Ga2Ag1Pd1 |
[
"Ag",
"Hg",
"I",
"Rb"
] | 14 | A4BCD | AgHgI4Rb | Rb2 Ag2 Hg2 I8 | 4 | [
1,
1,
1
] | 3 | [
[
7.45833986,
0,
0.26483643
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[
0,
8.57880758,
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[
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... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
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"I",
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] | 2023-11-16 06:57:59 | [
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[
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-0.00... | -0.000001 | 0 | pbe | true | de4140f28d2eee34bc46804d2340fd96_11_Rb2Ag2Hg2I8 |
[
"Ag",
"Hg",
"La",
"Re"
] | 5 | A2BCD | AgHgLaRe2 | La1 Re2 Ag1 Hg1 | 4 | [
1,
1,
1
] | 3 | [
[
5.01703726,
0,
0
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[
0,
4.99906256,
0
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[
0,
0,
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[
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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": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Re",
"Re",
"Hg",
"Ag",
"La"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
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0
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[
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2.681582,
0
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[
0,
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] | -24.581047 | [
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0.136,
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[
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[
0,
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[
0,
0,
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[
0,
0,
0
]
] | 3.612587 | 9.062076 | pbe | true | c601a6eb68b50792cb6fe42cc21643ac_123_La1Re2Ag1Hg1 |
[
"Ag",
"Hg",
"O",
"S"
] | 16 | A4B2CD | Ag2HgO4S | Ag4 Hg2 S2 O8 | 4 | [
1,
1,
1
] | 3 | [
[
6.65682085,
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[
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[
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[
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5.83529783563... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
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"S",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.25,
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0.5,
0.125
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[
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[
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[
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[
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0.00... | 0 | 4.144541 | pbe | true | eeaf243dc67710b7532d0a79fe55a8c6_15_Ag4Hg2S2O8 |
[
"Ag",
"Hg",
"Y",
"Zn"
] | 4 | ABCD | AgHgYZn | Y1 Zn1 Ag1 Hg1 | 4 | [
1,
1,
1
] | 3 | [
[
4.89778373,
0,
0
],
[
2.44889187,
4.24160513,
0
],
[
2.44889187,
1.41386838,
3.99902367
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] | agm001317127 | [
[
2.4488918675,
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0.9997559175
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[
4.897783735,
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1.999511835
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[
0,
0,
0
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[
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2.9992677525
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Y",
"Zn",
"Hg",
"Ag"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
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[
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[
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] | -12.085039 | [
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[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.000001 | 1.69817 | pbe | true | d9cd4ea43014c4ea8ae2c044c67b276c_216_Y1Zn1Ag1Hg1 |
[
"Ag",
"I",
"Tl",
"V"
] | 10 | A6B2CD | AgI6Tl2V | Tl2 V1 Ag1 I6 | 4 | [
1,
1,
1
] | 3 | [
[
8.23184097,
-0.0012902,
0.00135979
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[
4.11522956,
7.12852589,
0.00088282
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[
4.11554805,
2.37531967,
6.7710023
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] | agm004961219 | [
[
8.232003083662091,
4.752078593157691,
2.216015477752034
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4.1150357122537615,
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0.0873327706383713
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[
12.347502183993432,
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5.38766670797655
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[
... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}] | [
"Tl",
"Tl",
"V",
"Ag",
"I",
"I",
"I",
"I",
"I",
"I"
] | 2023-11-16 06:57:59 | [
0.1,
0.6,
0.2,
0.1
] | [
[
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[
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[
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1.6212757
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] | -30.545231 | [
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1.998,
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[
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[
0.00336818,
0.004... | 1.999981 | 9.008512 | pbe | true | d0987e95d88681283103c66b5ab53b3d_146_Tl2V1Ag1I6 |
[
"Ag",
"In",
"Mg",
"Sr"
] | 10 | A6B2CD | Ag6InMgSr2 | Sr2 Mg1 In1 Ag6 | 4 | [
1,
1,
1
] | 3 | [
[
9.49862509,
0.0556371,
0.00205375
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[
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5.77430225,
0.01800987
],
[
4.74250028,
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4.76348904
]
] | agm004942939 | [
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5.066015540104225,
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[
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[
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[
2.398149512686798,
4.345867427754514,
0.04278563561019... | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Sr",
"Sr",
"Mg",
"In",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
0.6,
0.1,
0.1,
0.2
] | [
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[
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[
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] | -26.358758 | [
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[
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[
0.00378212,
-0.001... | 0 | 4.421091 | pbe | true | 9f727dafefcbb7114a600a240edf062f_12_Sr2Mg1In1Ag6 |
[
"Ag",
"In",
"Pd",
"Sr"
] | 10 | A4B3C2D | Ag3In4PdSr2 | Sr2 In4 Ag3 Pd1 | 4 | [
1,
1,
1
] | 3 | [
[
4.6771286,
0,
0
],
[
0,
4.6771286,
0
],
[
0,
0,
11.72756195
]
] | agm004530506 | [
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[
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[
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[
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5.863780975
... | [{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Sr",
"Sr",
"In",
"In",
"In",
"In",
"Ag",
"Ag",
"Ag",
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] | 2023-11-16 06:57:59 | [
0.3,
0.4,
0.1,
0.2
] | [
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[
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4.003625,
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[
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]
] | -31.505582 | [
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[
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[
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[
0,
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[
0,
0,
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... | -0.000016 | 6.316747 | pbe | true | 4480c991ef90c65eeba84f8b1c0374c9_115_Sr2In4Ag3Pd1 |