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 ⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"Ho",
"Pt",
"Sb"
] | 12 | ABC | HoPtSb | Ho4 Sb4 Pt4 | 3 | [
1,
1,
1
] | 3 | [
[
4.50637355,
0,
0
],
[
0,
7.22408424,
0
],
[
0,
0,
8.10653286
]
] | agm002238265 | [
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1.3492935767437464,
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[
3.3797... | [{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"Sb",
"Sb",
"Sb",
"Sb",
"Ho",
"Ho",
"Ho",
"Ho",
"Pt",
"Pt",
"Pt",
"Pt"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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[
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[
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[
0,
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[
0,
-0.00278365,
... | 0 | 0.951127 | pbe | true | 7e0d5b4d951ef85f028ff060215def42_62_Ho4Sb4Pt4 |
[
"Ho",
"Pu",
"Se"
] | 14 | A4B2C | Ho2PuSe4 | Ho4 Pu2 Se8 | 3 | [
1,
1,
1
] | 3 | [
[
7.08398388,
-1e-8,
-2.57632733
],
[
-3.52220521,
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],
[
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2e-8,
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]
] | agm005987614 | [
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... | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}] | [
"Ho",
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"Ho",
"Ho",
"Pu",
"Pu",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.2857142857142857,
0.14285714285714285,
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[
0,
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[
0.03779818,
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5.471,
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[
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0
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[
0,
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0
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[
0.00170074,
-0.000... | 11.990983 | 21.4258 | pbe | true | 014c03d6fc8a33a000d22c8f20ccbb71_122_Ho4Pu2Se8 |
[
"Ho",
"Ru",
"Si"
] | 11 | A5B4C2 | Ho2Ru5Si4 | Ho2 Si4 Ru5 | 3 | [
1,
1,
1
] | 3 | [
[
5.2343962,
-4e-8,
2.4986056
],
[
2.61719756,
4.95101901,
1.24930228
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[
-0.16014471,
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7.06763381
]
] | agm005666123 | [
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[
4.480494026962008,
3.494035431401601,
4.077974674122816
],
... | [{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"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"]}] | [
"Ho",
"Ho",
"Si",
"Si",
"Si",
"Si",
"Ru",
"Ru",
"Ru",
"Ru",
"Ru"
] | 2023-11-16 06:57:59 | [
0.18181818181818182,
0.45454545454545453,
0.36363636363636365
] | [
[
5.2590256,
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[
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[
0.09351331,
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] | -85.329614 | [
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0
] | [
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[
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[
0.00413866,
0.00515198,
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[
-0.00413866,
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0.008670... | 0 | 4.413992 | pbe | true | 13c0ae24216eea9d0273cd17c93705ac_69_Ho2Si4Ru5 |
[
"Ho",
"Sb",
"Tm"
] | 6 | ABC | HoSbTm | Ho2 Tm2 Sb2 | 3 | [
1,
1,
1
] | 3 | [
[
4.16401625,
0,
0
],
[
-2.08200813,
5.7131278,
0.30297644
],
[
0,
-2.47480142,
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]
] | agm003606956 | [
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[
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6.23837146411899... | [{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}] | [
"Ho",
"Ho",
"Tm",
"Tm",
"Sb",
"Sb"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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0
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[
0,
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[
0,
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] | -29.623515 | [
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0.217,
0.217,
0.004,
0.004
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0,
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[
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[
0,
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0.00096566
],
[
0,
0.00251539,
-0.00096566
]
] | 1.484986 | 6.044337 | pbe | true | 1231d995c8d15f4b0087243441969cb0_12_Ho2Tm2Sb2 |
[
"Ho",
"Sc",
"Sm"
] | 18 | A6B2C | HoSc2Sm6 | Sm12 Ho2 Sc4 | 3 | [
1,
1,
1
] | 3 | [
[
6.10904839,
0.88956481,
0.86119396
],
[
2.98972989,
10.1021338,
-0.02432829
],
[
2.98972989,
0.30300641,
10.09761785
]
] | agm003481825 | [
[
5.795075712642314,
7.278738439243887,
4.759834510170099
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[
3.2389082623576857,
5.856746954925703,
3.383194534094937
],
[
6.293432457357686,
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6.174649009829902
],
[
8.849599907642313,
5.437958065074297,
7.551288985905063
],
[
9... | [{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}] | [
"Sm",
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"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Ho",
"Ho",
"Sc",
"Sc",
"Sc",
"Sc"
] | 2023-11-16 06:57:59 | [
0.1111111111111111,
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0.6666666666666666
] | [
[
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[
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[
0.02059039,
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] | -87.297034 | [
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[
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[
0.00212399,
-0.0037... | 0.000759 | 25.125284 | pbe | true | c3c95e4d3cceff98c542ac9d81d593a9_15_Sm12Ho2Sc4 |
[
"Ho",
"Tb",
"Zr"
] | 13 | A8B4C | Ho8Tb4Zr | Tb4 Ho8 Zr1 | 3 | [
1,
1,
1
] | 3 | [
[
7.43997993,
-1.13195418,
1.30088255
],
[
0.88953112,
7.47284165,
1.30088256
],
[
-1.48695614,
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]
] | agm006067227 | [
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[
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[
2.1236877520783297,
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[
5.931463246996705,... | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}] | [
"Tb",
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"Tb",
"Tb",
"Ho",
"Ho",
"Ho",
"Ho",
"Ho",
"Ho",
"Ho",
"Ho",
"Zr"
] | 2023-11-16 06:57:59 | [
0.6153846153846154,
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0.07692307692307693
] | [
[
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[
0.01704717,
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] | -56.702172 | [
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0.039,
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[
-0.00036851,
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... | 0.854448 | 22.818695 | pbe | true | a3da5c73d3bd9e0636dc2c4a839c2661_166_Tb4Ho8Zr1 |
[
"Ho",
"Tm",
"Y"
] | 16 | A5B2C | Ho2TmY5 | Y10 Ho4 Tm2 | 3 | [
1,
1,
1
] | 3 | [
[
5.50779177,
0,
0
],
[
-2.75389588,
5.9603151,
0
],
[
0,
0,
15.78606971
]
] | agm003466095 | [
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2.7538958892216283,
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2.7538958892216283,
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[
3.802508211595378e-9,
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7.128230718247131
],
[
3.802508211595378e-9,
4.532829289260462,
0.7648041367528683
]... | [{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Y",
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"Y",
"Y",
"Y",
"Y",
"Y",
"Y",
"Ho",
"Ho",
"Ho",
"Ho",
"Tm",
"Tm"
] | 2023-11-16 06:57:59 | [
0.25,
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[
1.8548596,
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0
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[
0,
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] | -89.703048 | [
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[
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[
0,
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[
0,
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],
... | 0.00038 | 29.66838 | pbe | true | c1c4920157a6baa97bd97e7062e464d4_63_Y10Ho4Tm2 |
[
"I",
"Nd",
"Sb"
] | 5 | A2B2C | I2Nd2Sb | Nd2 Sb1 I2 | 3 | [
1,
1,
1
] | 3 | [
[
4.47763326,
0,
0
],
[
2.23881663,
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0
],
[
2.23881663,
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] | agm003397919 | [
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[
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7.78... | [{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}] | [
"Nd",
"Nd",
"Sb",
"I",
"I"
] | 2023-11-16 06:57:59 | [
0.4,
0.4,
0.2
] | [
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[
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[
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] | -23.419484 | [
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[
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0
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[
0,
0,
-0.00223869
],
[
0,
0,
0.00223869
]
] | 0 | 2.082086 | pbe | true | 88e205858b48a0f71b5663c1c7b11c2a_166_Nd2Sb1I2 |
[
"I",
"Na",
"U"
] | 14 | A5BC | I5NaU | Na2 U2 I10 | 3 | [
1,
1,
1
] | 3 | [
[
7.85196627,
0.36406506,
-2.41958812
],
[
-1.02621252,
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],
[
-0.37508142,
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11.98169548
]
] | agm005749298 | [
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5.31237916652449,
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... | [{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}] | [
"Na",
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"U",
"U",
"I",
"I",
"I",
"I",
"I",
"I",
"I",
"I",
"I",
"I"
] | 2023-11-16 06:57:59 | [
0.7142857142857143,
0.14285714285714285,
0.14285714285714285
] | [
[
0.4005489,
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[
-0.00368025,
0.39923027,
0.04425602
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[
0.0370324,
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]
] | -53.313273 | [
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0,
2.175,
2.175,
-0.045,
-0.039,
-0.045,
-0.027,
-0.039,
-0.039,
-0.027,
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] | [
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[
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[
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],
[
0.00263057,
0.00111157,
-0.00241181
... | 3.999999 | 6.603074 | pbe | true | 399c9534bb223196d7bc03f1c7a8d85d_15_Na2U2I10 |
[
"I",
"Ni",
"Pm"
] | 11 | A5B4C2 | I5Ni2Pm4 | Pm4 Ni2 I5 | 3 | [
1,
1,
1
] | 3 | [
[
4.14522513,
0,
0
],
[
0,
8.78171205,
0.66311284
],
[
-2.07261256,
-1.84612589,
11.44106736
]
] | agm003360115 | [
[
2.072614639161589,
4.253530915434784,
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],
[
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2.6820552445652166,
8.19530847178379
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[
2.07261466320251,
0.8280069835301748,
11.32758525120916... | [{"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}] | [
"Pm",
"Pm",
"Pm",
"Pm",
"Ni",
"Ni",
"I",
"I",
"I",
"I",
"I"
] | 2023-11-16 06:57:59 | [
0.45454545454545453,
0.18181818181818182,
0.36363636363636365
] | [
[
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[
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],
[
0,
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]
] | -47.908433 | [
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0,
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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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[
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],
[
0,
0.00833049,
0.00149426
],
[
0,
0.00037165,
... | 0 | 6.171777 | pbe | true | 530b39a0483887e2dc15117513e22e1f_12_Pm4Ni2I5 |
[
"I",
"Pa",
"Sb"
] | 4 | A2BC | IPa2Sb | Pa2 Sb1 I1 | 3 | [
1,
1,
1
] | 3 | [
[
5.30283434,
0,
0
],
[
2.65141717,
4.59238925,
0
],
[
2.65141717,
1.53079642,
4.3297461
]
] | agm001112463 | [
[
5.30283434,
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2.16487305
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[
0,
0,
0
],
[
2.65141717,
1.5307964175,
1.082436525
],
[
7.954251510000001,
4.5923892525,
3.247309575
]
] | [{"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}] | [
"I",
"Sb",
"Pa",
"Pa"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
1.4613737,
0,
0
],
[
0,
1.4613737,
0
],
[
0,
0,
1.4613737
]
] | -25.667717 | [
-0.016,
-0.028,
0.894,
0.894
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.076214 | 10.014498 | pbe | true | 6468afb0b2e6e05dd40bceb5f0ac5b29_225_Pa2Sb1I1 |
[
"I",
"Rb",
"Sr"
] | 12 | A6B5C | I6Rb5Sr | Rb5 Sr1 I6 | 3 | [
1,
1,
1
] | 3 | [
[
9.24350918,
0.20404056,
0
],
[
2.80211257,
8.73633512,
0
],
[
1.40105628,
4.36816756,
7.90866671
]
] | agm003677390 | [
[
6.02281225875596,
4.470192164485884,
5.203528061637948
],
[
10.644566850385491,
4.572212444485884,
2.626042965382003
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[
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0
],
[
2.802111179614509,
8.736330795514116,
5.282623744617997
],
[
7.423865771244041,
... | [{"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": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"Rb",
"Rb",
"Rb",
"Rb",
"Rb",
"Sr",
"I",
"I",
"I",
"I",
"I",
"I"
] | 2023-11-16 06:57:59 | [
0.5,
0.4166666666666667,
0.08333333333333333
] | [
[
0.4983645,
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0
],
[
0.03279839,
0.51698655,
0
],
[
0,
0,
0.49100372
]
] | -32.688593 | [
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0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
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[
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[
0,
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[
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[
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[
0,
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0
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[
0.0022984,
-0.00172241,
-0.00171637
],
[
-0.0022984,
0.00172241,
-0.001716... | -0.000001 | 2.569392 | pbe | true | 538982a926f9275c5d5b70a52fb3318b_12_Rb5Sr1I6 |
[
"In",
"Ir",
"Lu"
] | 8 | A3B3C2 | In3Ir2Lu3 | Lu3 In3 Ir2 | 3 | [
1,
1,
1
] | 3 | [
[
3.56514833,
0,
0
],
[
0,
7.55008844,
0
],
[
0,
-3.77504422,
6.5385684
]
] | agm002281337 | [
[
0,
3.775044257750442,
2.1795227782047717
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[
0,
-3.775044234834733e-8,
4.359045621795228
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[
1.782574165,
2.1805068404557666,
3.776748639778296
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[
1.782574165,
3.189074759088466,
0
],
[
1.782574165,
5.955551060455766,
2.76181976022170... | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}] | [
"Ir",
"Ir",
"Lu",
"Lu",
"Lu",
"In",
"In",
"In"
] | 2023-11-16 06:57:59 | [
0.375,
0.25,
0.375
] | [
[
1.5784687,
0,
0
],
[
0,
4.64283,
0
],
[
0,
0,
4.64283
]
] | -44.91084 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
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[
0,
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[
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[
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[
0,
0.00349167,
0.00604775
],
[
0,
-0.00698335,
0
],
[
0,
0.00349167,
-0.00604... | 0.000001 | 2.809338 | pbe | true | 7d1f13a6267dc098dac536af3fec0969_189_Lu3In3Ir2 |
[
"In",
"K",
"Ni"
] | 4 | A2BC | InKNi2 | K1 In1 Ni2 | 3 | [
1,
1,
1
] | 3 | [
[
3.77720671,
0,
0
],
[
0,
3.89284084,
-0.00157039
],
[
0,
1.97600898,
6.49830174
]
] | agm004393192 | [
[
0,
2.6817390194380426,
2.227182120412553
],
[
1.888603355,
4.653584923577064,
5.138823166437274
],
[
0,
0.7342973721812658,
0.5458408017274518
],
[
1.888603355,
0.7336534932522145,
1.8332510663730521
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}] | [
"In",
"K",
"Ni",
"Ni"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
-3.4270353,
0,
0
],
[
0,
-3.6670408,
-0.00400234
],
[
0,
-0.00400199,
-3.8096426
]
] | -14.117166 | [
0,
0,
0,
0
] | [
[
0,
-0.0003897,
-0.00133433
],
[
0,
-0.00080228,
-0.00047566
],
[
0,
0.00063893,
-0.00264245
],
[
0,
0.00055304,
0.00445245
]
] | -0.000013 | 3.188099 | pbe | true | afafb1a92875393191c4813adee9342b_6_K1In1Ni2 |
[
"In",
"La",
"N"
] | 4 | A2BC | InLaN2 | La1 In1 N2 | 3 | [
1,
1,
1
] | 3 | [
[
2.089984,
0,
6.51313075
],
[
-1.044992,
1.80997924,
6.51313075
],
[
-1.044992,
-1.80997924,
6.51313075
]
] | agm002770336 | [
[
2.4221395324133255e-17,
1.105524248921597e-16,
17.368490153576992
],
[
3.534180291495658e-18,
4.698775703559483e-19,
2.1709020964230077
],
[
0,
0,
9.769696125
],
[
0,
0,
0
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}] | [
"N",
"N",
"In",
"La"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
0.8998345,
0,
0
],
[
0,
0.8998345,
0
],
[
0,
0,
1.1073647
]
] | -22.801596 | [
0,
0,
0,
0
] | [
[
0,
0,
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],
[
0,
0,
0.00453762
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000001 | 3.570456 | pbe | true | 73ed800430fa557965cc45b699bd4167_166_La1In1N2 |
[
"In",
"Mg",
"Zr"
] | 12 | A9B2C | In2MgZr9 | Mg1 Zr9 In2 | 3 | [
1,
1,
1
] | 3 | [
[
4.4787164,
0,
0
],
[
0,
4.4787164,
0
],
[
0,
0,
13.42723448
]
] | agm005891011 | [
[
0,
0,
0
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[
2.2393582,
2.2393582,
0
],
[
2.2393582,
2.2393582,
4.486782774285847
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[
2.2393582,
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8.940451705714151
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[
2.2393582,
0,
2.242397167565852
],
[
2.2393582,
0,
6.71361724
],
[
2.2393582,
... | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"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"]}] | [
"Mg",
"Zr",
"Zr",
"Zr",
"Zr",
"Zr",
"Zr",
"Zr",
"Zr",
"Zr",
"In",
"In"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.08333333333333333,
0.75
] | [
[
3.2187622,
0,
0
],
[
0,
3.2187622,
0
],
[
0,
0,
3.3763719
]
] | -85.909382 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
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[
0,
0,
0
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[
0,
0,
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[
0,
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[
0,
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[
0,
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[
0,
0,
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],
[
0,
0,
0.00125894
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[
0,
0,
0
],
[
0,... | 0.000011 | 12.582286 | pbe | true | 788fbdc3a74405aa536fc5982cdb3f6c_123_Mg1Zr9In2 |
[
"In",
"N",
"Sn"
] | 3 | ABC | InNSn | In1 Sn1 N1 | 3 | [
1,
1,
1
] | 3 | [
[
5.74710996,
-0.53904281,
0
],
[
-5.62295152,
4.09973168,
0
],
[
0,
0,
15
]
] | agm2000058072 | [
[
2.139909697173562,
0.9920298782255342,
7.5
],
[
-0.34054947790601225,
2.999946535587449,
7.5
],
[
-2.376868153397765,
3.264087334624561,
7.5
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}] | [
"In",
"Sn",
"N"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
0.00911558,
-0.00594593,
0
],
[
-0.00594589,
-0.03225573,
0
],
[
0,
0,
-0.2205553
]
] | -13.047174 | [
0,
0,
0
] | [
[
0.00088938,
0.00313283,
0
],
[
-0.00011796,
-0.00237733,
0
],
[
-0.00077142,
-0.0007555,
0
]
] | 0 | 0.76101 | pbe | true | 757b0f2d69a6a9400f92a03138f5e4df_6_In1Sn1N1 |
[
"In",
"N",
"W"
] | 4 | A2BC | InN2W | In1 W1 N2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
2.82830806,
2.82830806
],
[
2.82830806,
0,
2.82830806
],
[
2.82830806,
2.82830806,
0
]
] | agm002706823 | [
[
1.41415403,
1.41415403,
1.41415403
],
[
4.24246209,
4.24246209,
4.24246209
],
[
2.82830806,
2.82830806,
2.82830806
],
[
0,
0,
0
]
] | [{"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": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}] | [
"N",
"N",
"W",
"In"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
1.7194047,
0,
0
],
[
0,
1.7194047,
0
],
[
0,
0,
1.7194047
]
] | -27.478141 | [
0.044,
0.044,
0.729,
0.014
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.003914 | 1.575469 | pbe | true | a59339d045cc2329fa55545b065aa210_225_In1W1N2 |
[
"In",
"Na",
"Rb"
] | 9 | A6B2C | InNa6Rb2 | Rb2 Na6 In1 | 3 | [
1,
1,
1
] | 3 | [
[
7.69478299,
0.0000011,
4e-8
],
[
-3.84739041,
6.46146959,
1.42185756
],
[
2e-8,
0.13717441,
7.95857285
]
] | agm005753008 | [
[
3.8473879718529993,
1.9333929200012148,
1.490906469559204
],
[
0.000004628147000608649,
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[
... | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}] | [
"Rb",
"Rb",
"Na",
"Na",
"Na",
"Na",
"Na",
"Na",
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] | 2023-11-16 06:57:59 | [
0.1111111111111111,
0.6666666666666666,
0.2222222222222222
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0
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[
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[
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] | -12.509783 | [
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... | -0.000001 | 3.140039 | pbe | true | 0b7f8f975b8b71d3535c504241119ec7_12_Rb2Na6In1 |
[
"In",
"Na",
"Zn"
] | 5 | A2B2C | In2NaZn2 | Na1 Zn2 In2 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
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[
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] | agm002935864 | [
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] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Na",
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] | 2023-11-16 06:57:59 | [
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[
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[
0,
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] | 0 | 2.097347 | pbe | true | cff421a57ae56bf1eb679f29744fd030_139_Na1Zn2In2 |
[
"In",
"Nb",
"Ta"
] | 10 | A5B4C | InNb5Ta4 | Ta4 Nb5 In1 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
3.37075691,
0
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[
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[
... | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}] | [
"Ta",
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"Ta",
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"Nb",
"Nb",
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"Nb",
"Nb",
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] | 2023-11-16 06:57:59 | [
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[
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] | -100.545488 | [
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... | 0.000003 | 12.037067 | pbe | true | e93216c990d9941838220e4ee549e253_123_Ta4Nb5In1 |
[
"In",
"Ni",
"Pd"
] | 3 | ABC | InNiPd | In1 Ni1 Pd1 | 3 | [
1,
1,
1
] | 3 | [
[
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-0.3717133,
1.0948505
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[
3.22745233,
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0.16427303
],
[
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] | agm005679434 | [
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[
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[
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] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}] | [
"In",
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] | 2023-11-16 06:57:59 | [
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[
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] | -13.839189 | [
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[
0,
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[
0,
0,
0
]
] | -0 | 2.126313 | pbe | true | 648698508d353ae1e652882ad931a44c_47_In1Ni1Pd1 |
[
"In",
"Np",
"Pt"
] | 6 | A4BC | InNpPt4 | Np1 In1 Pt4 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
2.70407316,
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0
],
[
2.70407316,
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] | agm001177061 | [
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[
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[
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[
4.052572... | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"Np",
"Pt",
"Pt",
"Pt",
"Pt",
"In"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
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0.6666666666666666
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[
0,
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0
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[
0,
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]
] | -43.173442 | [
3.659,
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-0.079,
0.021
] | [
[
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[
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[
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[
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[
0.00001478,
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[
0,
0,
0
]
] | 3.583607 | 12.625767 | pbe | true | 0b05eff97cd14b701491c7b3a520d5b8_216_Np1In1Pt4 |
[
"In",
"Pd",
"Sm"
] | 11 | A8B2C | In2PdSm8 | Sm8 In2 Pd1 | 3 | [
1,
1,
1
] | 3 | [
[
5.17995052,
0,
0
],
[
0,
6.87415507,
0.30905659
],
[
-2.58997526,
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9.22581528
]
] | agm003522441 | [
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[
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[
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[
... | [{"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": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}] | [
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"In",
"In",
"Pd"
] | 2023-11-16 06:57:59 | [
0.18181818181818182,
0.09090909090909091,
0.7272727272727273
] | [
[
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0
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[
0,
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[
0,
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] | -51.697814 | [
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[
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[
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[
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[
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[
0,
0.00017891,
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[
0,
0.00198774,
... | -0.00004 | 11.64034 | pbe | true | 770a72126fe971e64e4e5eedbf6a66a7_12_Sm8In2Pd1 |
[
"In",
"Pd",
"Sn"
] | 9 | A6B2C | In6PdSn2 | In6 Sn2 Pd1 | 3 | [
1,
1,
1
] | 3 | [
[
4.20435188,
0,
0
],
[
0,
6.65886189,
-3.0662213
],
[
0,
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8.3305718
]
] | agm005815119 | [
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[
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[
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[
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[
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4.933460720756846,
4... | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}] | [
"In",
"In",
"In",
"In",
"In",
"In",
"Sn",
"Sn",
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] | 2023-11-16 06:57:59 | [
0.6666666666666666,
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0.2222222222222222
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[
0,
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[
0,
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]
] | -30.503437 | [
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[
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[
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[
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[
0,
0.00222536,
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[
0,
0.00057655,
0... | 0 | 3.234613 | pbe | true | ec10ff64e0cd5d91e7147ae387b9cdbd_38_In6Sn2Pd1 |
[
"In",
"Pm",
"Sm"
] | 8 | A6BC | InPm6Sm | Pm6 Sm1 In1 | 3 | [
1,
1,
1
] | 3 | [
[
5.00821419,
0,
0
],
[
0,
5.00821419,
0
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[
0,
0,
10.32532677
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] | agm003775082 | [
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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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2.504107095,
7.826944003... | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}] | [
"Pm",
"Pm",
"Pm",
"Pm",
"Pm",
"Pm",
"Sm",
"In"
] | 2023-11-16 06:57:59 | [
0.125,
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0.125
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[
0,
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0
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[
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] | -36.906443 | [
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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,
0
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[
0,
0,
0
]
] | 0.000303 | 8.991648 | pbe | true | 077cbfbfb5401eda568f189b220c2d30_123_Pm6Sm1In1 |
[
"In",
"Pt",
"Y"
] | 8 | A2BC | InPt2Y | Y2 In2 Pt4 | 3 | [
1,
1,
1
] | 3 | [
[
4.59044318,
0,
0
],
[
-2.29522162,
3.97544039,
0
],
[
0,
0,
9.03702831
]
] | agm003263209 | [
[
2.2952238752216,
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6.7777712325
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[
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[
2.2952238752216,
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[
-0.00000231522159... | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Y",
"Y",
"In",
"In",
"Pt",
"Pt",
"Pt",
"Pt"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
5.078585,
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0
],
[
-4e-8,
5.078585,
0
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[
0,
0,
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]
] | -50.307271 | [
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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,
0.00284522
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[
0,
0,
-0.00284522
]
] | 0 | 5.396906 | pbe | true | 92e2ccb792bd9fc2084eb9f4c5062aab_194_Y2In2Pt4 |
[
"In",
"Rh",
"Sm"
] | 5 | A2B2C | InRh2Sm2 | Sm2 In1 Rh2 | 3 | [
1,
1,
1
] | 3 | [
[
4.46784044,
0,
0
],
[
2.23392022,
5.15393675,
-0.11480892
],
[
2.23392022,
1.8052085,
4.82881647
]
] | agm002308538 | [
[
4.46784044,
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3.4845834749404174
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[
4.46784044,
4.243376048081982,
1.229424075059582
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[
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[
2.23392022,
2.0623843801175474,
1.3970243743477244
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[
0,
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0
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] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}] | [
"Rh",
"Rh",
"Sm",
"Sm",
"In"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.4
] | [
[
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[
0,
5.012835,
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[
0,
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] | -30.542078 | [
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] | [
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[
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[
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[
0,
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[
0,
0,
0
]
] | 0 | 2.18029 | pbe | true | be14aa6f381572cf6aa30a343c5643d6_71_Sm2In1Rh2 |
[
"In",
"Ru",
"Y"
] | 20 | A6B3C | In3RuY6 | Y12 In6 Ru2 | 3 | [
1,
1,
1
] | 3 | [
[
5.29386934,
2e-8,
0
],
[
9.9e-7,
8.79208075,
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[
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] | agm006070942 | [
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"In",
"In",
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] | 2023-11-16 06:57:59 | [
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... | -0.000003 | 16.09206 | pbe | true | 1411f228fdbf221e2adba39fc26470b6_11_Y12In6Ru2 |
[
"In",
"Sb",
"Ti"
] | 19 | A12B6C | InSb6Ti12 | Ti12 In1 Sb6 | 3 | [
1,
1,
1
] | 3 | [
[
7.59882527,
-0.59260263,
-0.70992361
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[
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] | agm003687601 | [
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... | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}] | [
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] | 2023-11-16 06:57:59 | [
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[
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0.00038... | 0.005245 | 22.430502 | pbe | true | 8a0c5170bf17392098a11468e2d04a5e_148_Ti12In1Sb6 |
[
"In",
"Sn",
"Y"
] | 6 | ABC | InSnY | Y2 In2 Sn2 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
],
[
0,
4.54035505,
0
],
[
0,
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] | agm003607950 | [
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[
... | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Y",
"Y",
"In",
"In",
"Sn",
"Sn"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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] | [
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[
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] | -29.55524 | [
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[
0,
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[
0,
0,
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]
] | -0.000001 | 4.147645 | pbe | true | 5a5fdc2dc5fbe7e438647bee5189d410_63_Y2In2Sn2 |
[
"In",
"Te",
"Tl"
] | 22 | A6B4C | InTe4Tl6 | Tl12 In2 Te8 | 3 | [
1,
1,
1
] | 3 | [
[
7.04277602,
0,
0
],
[
0,
9.94113608,
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],
[
0,
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] | agm006045559 | [
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[
... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}] | [
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"In",
"In",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te"
] | 2023-11-16 06:57:59 | [
0.09090909090909091,
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] | [
[
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[
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[
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] | -65.005444 | [
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[
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... | 0 | 5.067677 | pbe | true | b3984bd82635be03f45ef5548580553e_186_Tl12In2Te8 |
[
"Ir",
"K",
"Os"
] | 6 | ABC | IrKOs | K2 Ir2 Os2 | 3 | [
1,
1,
1
] | 3 | [
[
5.01606428,
-2.89602606,
0
],
[
0,
5.79205213,
0
],
[
0,
0,
9.21894381
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] | agm003085831 | [
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[
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[
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] | [{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"K",
"K",
"Ir",
"Ir",
"Os",
"Os"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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[
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[
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]
] | -29.880241 | [
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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
]
] | 3.524679 | 8.626804 | pbe | true | eed1345f486864cab7ff5771ae431be5_194_K2Ir2Os2 |
[
"Ir",
"K",
"Os"
] | 4 | A2BC | IrKOs2 | K1 Ir1 Os2 | 3 | [
1,
1,
1
] | 3 | [
[
4.52873406,
0,
0
],
[
0,
2.74689328,
-0.04546212
],
[
0,
1.24582568,
6.75860459
]
] | agm004441934 | [
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],
[
0,
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] | [{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Ir",
"K",
"Os",
"Os"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
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0,
0
],
[
0,
6.38249,
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],
[
0,
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]
] | -27.602767 | [
0,
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] | [
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[
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[
0,
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],
[
0,
0.00383107,
0.02063098
]
] | -0.000018 | 6.873703 | pbe | true | 7ff7586e57ba3eb7f54c8a0dc725b031_10_K1Ir1Os2 |
[
"Ir",
"La",
"P"
] | 10 | A6B3C | Ir6LaP3 | La1 P3 Ir6 | 3 | [
1,
1,
1
] | 3 | [
[
5.10906937,
-0.45020113,
-2.85654187
],
[
-3.96153527,
5.396574,
-0.46419296
],
[
0.18233252,
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6.6120959
]
] | agm006098055 | [
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[
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],
[
0.4556482315927096,
0.7100175457383741,
1.5132006607860913
]... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"La",
"P",
"P",
"P",
"Ir",
"Ir",
"Ir",
"Ir",
"Ir",
"Ir"
] | 2023-11-16 06:57:59 | [
0.6,
0.1,
0.3
] | [
[
3.3097398,
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[
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0.2255267
],
[
-0.33556032,
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]
] | -79.253762 | [
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] | [
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[
0.00991765,
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[
0.00757246,
0.008969... | 0.000005 | 7.701211 | pbe | true | 54e07c885f1bf83788cfddf1190f5ef7_1_La1P3Ir6 |
[
"Ir",
"Li",
"Sr"
] | 3 | ABC | IrLiSr | Sr1 Li1 Ir1 | 3 | [
1,
1,
1
] | 3 | [
[
4.53030423,
0,
0
],
[
2.26515211,
3.92335855,
0
],
[
2.26515211,
1.30778618,
3.69897791
]
] | agm003890997 | [
[
4.530304225,
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1.849488955
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[
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2.7742334325
],
[
0,
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0
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] | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"Ir",
"Li",
"Sr"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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] | [
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0,
0
],
[
0,
0.6256162,
0
],
[
0,
0,
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]
] | -11.708167 | [
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000164 | 0.824361 | pbe | true | 5666d56b37f46566754d3e8d1d93e709_216_Sr1Li1Ir1 |
[
"Ir",
"Li",
"Te"
] | 4 | A2BC | IrLiTe2 | Li1 Te2 Ir1 | 3 | [
1,
1,
1
] | 3 | [
[
2.34095552,
0,
6.61366413
],
[
-1.17047776,
2.02732695,
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],
[
-1.17047776,
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]
] | agm002768639 | [
[
0,
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[
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[
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6.293266695455202e-17,
15.190981224068823
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[
0,
0,
0
]
] | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Ir",
"Te",
"Te",
"Li"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
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0,
0
],
[
0,
0.6224981,
0
],
[
0,
0,
1.4247065
]
] | -18.687597 | [
0,
0,
0,
0
] | [
[
0,
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[
0,
0,
0.00406882
],
[
0,
0,
-0.00406882
],
[
0,
0,
0
]
] | 0 | 0 | pbe | true | 88538d6ebba2afa64fb3f1ef20b9ef9e_166_Li1Te2Ir1 |
[
"Ir",
"Lu",
"Pd"
] | 4 | A2BC | Ir2LuPd | Lu1 Ir2 Pd1 | 3 | [
1,
1,
1
] | 3 | [
[
4.08722685,
0,
0
],
[
0,
4.00346019,
0
],
[
0,
0,
4.00346019
]
] | agm001219386 | [
[
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[
0,
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0
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[
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0
]
] | [{"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}] | [
"Ir",
"Ir",
"Lu",
"Pd"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
4.4665766,
0,
0
],
[
0,
4.29431,
0
],
[
0,
0,
4.29431
]
] | -29.715729 | [
-0.002,
-0.002,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.004818 | 3.597993 | pbe | true | 79277e04181125324cec6a1c5327a4a2_123_Lu1Ir2Pd1 |
[
"Ir",
"Mg",
"Sc"
] | 4 | A2BC | Ir2MgSc | Mg1 Sc1 Ir2 | 3 | [
1,
1,
1
] | 3 | [
[
3.39399896,
0,
0
],
[
0,
3.39399896,
0
],
[
0,
0,
5.86832001
]
] | agm003978460 | [
[
0,
0,
5.740148154799186
],
[
1.69699948,
1.69699948,
1.6215154652223682
],
[
0,
0,
2.7537804647806214
],
[
1.69699948,
1.69699948,
4.555355940197823
]
] | [{"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Ir",
"Ir",
"Mg",
"Sc"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
3.6250746,
0,
0
],
[
0,
3.6250746,
0
],
[
0,
0,
3.1762574
]
] | -26.565102 | [
0.008,
0.004,
0,
0
] | [
[
0,
0,
0.00243771
],
[
0,
0,
0.00520358
],
[
0,
0,
-0.00781286
],
[
0,
0,
0.00017157
]
] | 0.01264 | 5.529629 | pbe | true | 3b7b2e323042e76a9eb087a9b4ebd9e0_99_Mg1Sc1Ir2 |
[
"Ir",
"Mo",
"Ni"
] | 4 | A2BC | Ir2MoNi | Ni1 Mo1 Ir2 | 3 | [
1,
1,
1
] | 3 | [
[
4.70444105,
-0.00617134,
0.00868265
],
[
3.91771004,
2.60448685,
0.00868265
],
[
0.76754412,
0.23130212,
4.59141046
]
] | agm003865542 | [
[
9.362286165210762,
2.821357818058094,
4.562393447403439
],
[
2.3840004610660226,
0.718426912032928,
1.1811665875005835
],
[
4.699424213040218,
1.4161879918990796,
2.2976884595438776
],
[
7.0285270994614875,
2.118071327026743,
3.4806909053784465
]
] | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Ir",
"Ir",
"Mo",
"Ni"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
-2.4267063,
0.01122834,
-0.02234716
],
[
0.01122834,
-2.4605823,
-0.0067344
],
[
-0.02234699,
-0.00673435,
-2.4025123
]
] | -34.620039 | [
0,
0,
0,
0
] | [
[
0.00131716,
0.00039693,
-0.00161655
],
[
0.00212739,
0.0006411,
-0.00085394
],
[
-0.0005891,
-0.00017753,
0.0023304
],
[
-0.00285546,
-0.0008605,
0.00014009
]
] | 0.000028 | 4.52981 | pbe | true | 4847276d634a8978540973459f14fc2d_8_Ni1Mo1Ir2 |
[
"Ir",
"Na",
"O"
] | 6 | ABC | IrNaO | Na2 Ir2 O2 | 3 | [
1,
1,
1
] | 3 | [
[
2.79784736,
0,
0
],
[
0,
5.45530651,
0
],
[
0,
0,
5.3153666
]
] | agm002117690 | [
[
0,
5.066924964276291,
3.0969769285626016
],
[
0,
0.3883815457237085,
0.439293628562602
],
[
1.39892368,
2.921747005235574,
5.178572770251036
],
[
1.39892368,
2.533559504764426,
2.520889470251036
],
[
1.39892368,
4.2106181031596295,
1.3531... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Na",
"Na",
"Ir",
"Ir",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
0.92042434,
0,
0
],
[
0,
0.46297702,
0
],
[
0,
0,
0.31963813
]
] | -33.662878 | [
0,
0,
0,
0,
0,
0
] | [
[
0,
0.00260008,
-0.00064068
],
[
0,
-0.00260008,
-0.00064068
],
[
0,
-0.00120892,
0.00037156
],
[
0,
0.00120892,
0.00037156
],
[
0,
-0.00064198,
0.00026913
],
[
0,
0.00064198,
0.00026913
]
] | -0.000001 | 3.709526 | pbe | true | f380ed17254813d39c67ceec530dc22a_26_Na2Ir2O2 |
[
"Ir",
"Na",
"Sr"
] | 5 | A3BC | Ir3NaSr | Na1 Sr1 Ir3 | 3 | [
1,
1,
1
] | 3 | [
[
5.10327073,
0,
0
],
[
0,
5.10327073,
0
],
[
0,
0,
5.10327073
]
] | agm002548106 | [
[
0,
0,
0
],
[
0,
2.551635365,
0
],
[
0,
0,
2.551635365
],
[
2.551635365,
0,
0
],
[
2.551635365,
2.551635365,
2.551635365
]
] | [{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"Sr",
"Ir",
"Ir",
"Ir",
"Na"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
1.7992375,
0,
0
],
[
0,
1.7992375,
0
],
[
0,
0,
1.7992375
]
] | -17.925213 | [
-0.032,
0.786,
0.665,
0.608,
-0.005
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.950976 | 8.579704 | pbe | true | b4d2cee981d5030b16a240b80be8e661_221_Na1Sr1Ir3 |
[
"Ir",
"Nd",
"Pa"
] | 12 | A3B2C | Ir2NdPa3 | Nd2 Pa6 Ir4 | 3 | [
1,
1,
1
] | 3 | [
[
4.72383465,
0,
0
],
[
-2.36191733,
8.70299225,
0.06779638
],
[
0,
-3.74569253,
6.69947635
]
] | agm003426706 | [
[
2.361919659521724,
3.0216561009524514,
6.40351210371459
],
[
-0.000002339521723528808,
1.9356436190475488,
0.3637606262854105
],
[
2.0560616904586468e-8,
3.1966218986612547,
3.8459567027108297
],
[
2.3619173206197264,
5.471301478410676,
3.910201762275544... | [{"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Nd",
"Nd",
"Pa",
"Pa",
"Pa",
"Pa",
"Pa",
"Pa",
"Ir",
"Ir",
"Ir",
"Ir"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.16666666666666666,
0.5
] | [
[
2.7285078,
0,
0
],
[
0,
2.6757836,
-0.04127852
],
[
0,
-0.04127902,
2.688933
]
] | -107.118953 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0.00003575,
-0.00040157
],
[
0,
-0.00003575,
0.00040157
],
[
0,
-0.00069377,
-0.00779686
],
[
0,
0.00417153,
-0.00575175
],
[
0,
0.00677732,
-0.0047362
],
[
0,
-0.00677732,
0.0047362
],
[
0,
-0.00417153,
... | -0.00014 | 18.409662 | pbe | true | bbc3c840d4b6b2569f36e239c9d1891b_12_Nd2Pa6Ir4 |
[
"Ir",
"Nd",
"Tl"
] | 3 | ABC | IrNdTl | Nd1 Tl1 Ir1 | 3 | [
1,
1,
1
] | 3 | [
[
4.81606197,
0,
0
],
[
2.40803098,
4.17083201,
0
],
[
2.40803098,
1.39027734,
3.93229813
]
] | agm001239582 | [
[
0,
0,
0
],
[
2.4080309824999997,
1.3902773375,
0.9830745325
],
[
4.816061964999999,
2.780554675,
1.966149065
]
] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Tl",
"Ir",
"Nd"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
3.4291086,
0,
0
],
[
0,
3.4291086,
0
],
[
0,
0,
3.4291086
]
] | -16.929471 | [
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000001 | 1.2388 | pbe | true | f9272b495fd45a71d0e719b952dac23b_216_Nd1Tl1Ir1 |
[
"Ir",
"Ni",
"Rh"
] | 13 | A8B3C2 | Ir2Ni8Rh3 | Ni8 Ir2 Rh3 | 3 | [
1,
1,
1
] | 3 | [
[
4.59983964,
0.89896977,
0.93190122
],
[
-0.48187865,
5.98112371,
-3.39121516
],
[
2.37305907,
0.09783152,
6.83967274
]
] | agm005636810 | [
[
5.328553656735107,
3.173255316535504,
4.839534827543136
],
[
1.1624664032648933,
3.8046696834644966,
-0.45917602754313586
],
[
1.5931756073588599,
5.014297464715514,
1.6130548977329386
],
[
4.897844452641141,
1.9636275352844859,
2.7673039022670616
],
... | [{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ir",
"Ir",
"Rh",
"Rh",
"Rh"
] | 2023-11-16 06:57:59 | [
0.15384615384615385,
0.6153846153846154,
0.23076923076923078
] | [
[
-7.173627,
-0.07179283,
-0.17953902
],
[
-0.07176318,
-7.4319353,
0.21146677
],
[
-0.1794867,
0.21147099,
-7.147572
]
] | -82.793085 | [
0.473,
0.473,
0.503,
0.503,
0.665,
0.665,
0.665,
0.665,
0.406,
0.406,
0.523,
0.382,
0.382
] | [
[
0.0020429,
0.00322612,
0.00539965
],
[
-0.0020429,
-0.00322612,
-0.00539965
],
[
-0.00684145,
-0.00166163,
-0.0019585
],
[
0.00684145,
0.00166163,
0.0019585
],
[
-0.00525507,
0.00091988,
-0.00222335
],
[
-0.00493912,
-0.003001... | 6.541161 | 23.860956 | pbe | true | 09d36d992815c8ae4dc10d9f976f1f4f_12_Ni8Ir2Rh3 |
[
"Ir",
"O",
"Pb"
] | 9 | A6B2C | Ir2O6Pb | Ir2 Pb1 O6 | 3 | [
1,
1,
1
] | 3 | [
[
5.09260221,
0.00000886,
-0.00001302
],
[
-0.00002414,
4.64596209,
-2.68230224
],
[
0.00000406,
-0.00002609,
5.36467314
]
] | agm005709773 | [
[
2.5462863649906,
3.09730534199606,
0.000013694341539937223
],
[
2.5462957650094,
1.54863951800394,
2.6823441856584602
],
[
0,
0,
0
],
[
3.6004574554769437,
2.8828398899823457,
1.6644194541915864
],
[
1.4921213757685197,
2.882817029059092,
... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Ir",
"Ir",
"Pb",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.2222222222222222,
0.6666666666666666,
0.1111111111111111
] | [
[
1.3803774,
1.1e-7,
-0.00000317
],
[
1.1e-7,
0.480636,
0.00000121
],
[
-0.00000317,
0.00000121,
0.4806348
]
] | -58.554238 | [
0.445,
0.445,
0.004,
0.086,
0.086,
0.086,
0.086,
0.086,
0.086
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00226766,
-0.00107589,
-0.00062117
],
[
0.00226767,
-0.00107589,
0.00062115
],
[
0.00226766,
1e-8,
-0.00124233
],
[
-0.00226767,
0.00107589,
-0.00062115
],
[
... | 1.548903 | 5.466784 | pbe | true | a7b6f5ddb34c16ffc0cc51be5e95c7c4_162_Ir2Pb1O6 |
[
"Ir",
"O",
"Sr"
] | 5 | A3BC | IrOSr3 | Sr3 Ir1 O1 | 3 | [
1,
1,
1
] | 3 | [
[
5.66450554,
0,
0
],
[
0,
5.66450554,
0
],
[
0,
0,
5.66450554
]
] | agm002563458 | [
[
0,
2.83225277,
0
],
[
0,
0,
2.83225277
],
[
2.83225277,
0,
0
],
[
0,
0,
0
],
[
2.83225277,
2.83225277,
2.83225277
]
] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"Sr",
"Sr",
"Sr",
"Ir",
"O"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
0.04836778,
0,
0
],
[
0,
0.04836778,
0
],
[
0,
0,
0.04836778
]
] | -19.094343 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000002 | 6.248975 | pbe | true | ef488581e5408f636c0ad85abf08e1c6_221_Sr3Ir1O1 |
[
"Ir",
"Os",
"Pa"
] | 3 | ABC | IrOsPa | Pa1 Os1 Ir1 | 3 | [
1,
1,
1
] | 3 | [
[
3.71956291,
0,
0
],
[
0,
4.33210507,
0
],
[
0,
-2.16605253,
3.75171304
]
] | agm001270397 | [
[
2.4797448476079533,
-1.8327192146109313e-8,
2.5011420391723767
],
[
0.620091308376428,
2.1660525583271917,
1.2505710008276232
],
[
0.6197267540156189,
0,
0
]
] | [{"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Pa",
"Os",
"Ir"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
4.491369,
0,
0
],
[
0,
5.3871617,
0
],
[
0,
0,
5.3871617
]
] | -30.420668 | [
0,
0,
0
] | [
[
-0.00014113,
0,
0
],
[
-0.00103843,
0,
0
],
[
0.00117956,
0,
0
]
] | -0.000018 | 1.926862 | pbe | true | b86b150c6e0dfd9a39eafc0139edf786_187_Pa1Os1Ir1 |
[
"Mg",
"Na",
"V"
] | 3 | ABC | MgNaV | Na1 Mg1 V1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.52319099,
3.52319099
],
[
3.52319099,
0,
3.52319099
],
[
3.52319099,
3.52319099,
0
]
] | agm003113596 | [
[
1.761595495,
1.761595495,
1.761595495
],
[
5.284786485,
5.284786485,
5.284786485
],
[
3.52319099,
3.52319099,
3.52319099
]
] | [{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}] | [
"Na",
"Mg",
"V"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
0.93264693,
0,
0
],
[
0,
0.93264693,
0
],
[
0,
0,
0.93264693
]
] | -8.715157 | [
0.029,
0.016,
3.117
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 4.308435 | 6.124406 | pbe | true | 4a4deca41fbef08f0f4e2315b425d13c_216_Na1Mg1V1 |
[
"Ir",
"Rb",
"S"
] | 14 | A8B5C | Ir5RbS8 | Rb1 Ir5 S8 | 3 | [
1,
1,
1
] | 3 | [
[
3.52242696,
-0.00003267,
-0.68890903
],
[
-0.48191263,
8.29398716,
-2.46262586
],
[
0.01922179,
-0.10851851,
9.44569016
]
] | agm006115648 | [
[
1.5220328831348762,
4.144873936329474,
-1.567677796529724
],
[
0.7401260735986517,
5.530227505852918,
3.7842501855228474
],
[
2.3194100698463593,
2.6552856293407707,
2.509227864111939
],
[
1.1986871156684638,
0.2375981934443578,
6.127598757597318
],
... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}] | [
"Rb",
"Ir",
"Ir",
"Ir",
"Ir",
"Ir",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.35714285714285715,
0.07142857142857142,
0.5714285714285714
] | [
[
0.5389144,
-0.00222854,
-0.00413921
],
[
-0.00222848,
0.40816942,
-0.02520902
],
[
-0.00413921,
-0.02520896,
0.51279265
]
] | -83.914285 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
-0.0002098,
0.00000579,
-0.00016469
],
[
0.00055224,
-0.0002909,
0.00183878
],
[
-0.00049494,
0.00038244,
-0.00187941
],
[
-0.00062736,
-0.00088023,
-0.00361491
],
[
0.00059994,
0.00126185,
0.00382757
],
[
0.00005998,
0.000007... | 0 | -0.204241 | pbe | true | 653a09c263714bc47a2d7e9202262535_8_Rb1Ir5S8 |
[
"Ir",
"Rh",
"V"
] | 12 | A4BC | IrRh4V | V2 Ir2 Rh8 | 3 | [
1,
1,
1
] | 3 | [
[
6.14247587,
0.07342306,
0
],
[
-0.07265708,
5.65736469,
0
],
[
0,
0,
5.65823379
]
] | agm003753207 | [
[
-0.01816427,
1.4143411725,
4.24388362208581
],
[
-0.05449281,
4.243023517499999,
1.41435016791419
],
[
3.053073665,
1.4510527025,
1.4147137660175353
],
[
3.016745125,
4.2797350475,
4.243520023982464
],
[
1.4039687755616614,
2.845961561515477,... | [{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}] | [
"V",
"V",
"Ir",
"Ir",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.6666666666666666,
0.16666666666666666
] | [
[
11.471452,
0.28979114,
0
],
[
0.28979102,
11.261865,
0
],
[
0,
0,
11.156048
]
] | -92.698663 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0.00054295
],
[
0,
0,
-0.00054295
],
[
0,
0,
-0.00026566
],
[
0,
0,
0.00026566
],
[
-0.00089214,
-0.00212814,
0.00183107
],
[
-0.00074228,
-0.00212014,
-0.00184278
],
[
0.00089214,
0.00212814,
0.00183... | 0.000029 | 11.011005 | pbe | true | 5076232b4a17432bb0c34718d0d74341_123_V2Ir2Rh8 |
[
"Ir",
"Sc",
"Tc"
] | 4 | A2BC | Ir2ScTc | Sc1 Tc1 Ir2 | 3 | [
1,
1,
1
] | 3 | [
[
4.46022,
0,
0
],
[
2.23011,
3.86266383,
0
],
[
2.23011,
1.28755461,
3.64175438
]
] | agm003871047 | [
[
0,
0,
0
],
[
2.23011,
1.28755461,
0.910438595
],
[
4.46022,
2.57510922,
1.82087719
],
[
6.690329999999999,
3.86266383,
2.731315785
]
] | [{"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Ir",
"Ir",
"Sc",
"Tc"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
7.268717,
0,
0
],
[
0,
7.268717,
0
],
[
0,
0,
7.268717
]
] | -34.905241 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000001 | 5.579813 | pbe | true | d62ac84b948cdd01c823761419ec3b6f_216_Sc1Tc1Ir2 |
[
"Ir",
"Si",
"Tb"
] | 9 | A4B3C2 | Ir2Si4Tb3 | Tb3 Si4 Ir2 | 3 | [
1,
1,
1
] | 3 | [
[
4.02870128,
2e-8,
0
],
[
-2.01435013,
5.34686589,
-1.22969328
],
[
1e-8,
0.16019969,
8.2413762
]
] | agm005600553 | [
[
2.0143508187997403,
1.9110358474635796,
5.017121682646832
],
[
0,
0,
0
],
[
3.4120025940562073e-7,
3.5960297525364204,
1.9945612373531676
],
[
2.0143508689510354,
2.4039197305584676,
-0.016708638916672933
],
[
2.910489648088252e-7,
3.10314586... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"Tb",
"Tb",
"Tb",
"Si",
"Si",
"Si",
"Si",
"Ir",
"Ir"
] | 2023-11-16 06:57:59 | [
0.2222222222222222,
0.4444444444444444,
0.3333333333333333
] | [
[
1.6944848,
2.5e-7,
3e-8
],
[
2.5e-7,
2.6103327,
0.29332632
],
[
3e-8,
0.29332635,
2.1797884
]
] | -61.516698 | [
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
-0.00184906,
-0.00267334
],
[
0,
0,
0
],
[
0,
0.00184906,
0.00267334
],
[
0,
-0.00249417,
-0.00129536
],
[
0,
0.00249417,
0.00129536
],
[
0,
-0.00122268,
-0.00054566
],
[
0,
0.00122268,
0.00054566
],
... | 0.000008 | 5.294231 | pbe | true | 5ae9d21f16cb9558ef06cabd80427a59_12_Tb3Si4Ir2 |
[
"Ir",
"Ti",
"Zn"
] | 8 | A4B3C | Ir4TiZn3 | Ti1 Zn3 Ir4 | 3 | [
1,
1,
1
] | 3 | [
[
4.16228005,
0,
-1.12354026
],
[
-0.29841148,
4.15642061,
-1.10550051
],
[
-0.398125,
-0.4524723,
6.79668898
]
] | agm006076081 | [
[
-0.14920574,
2.078210305,
-0.552750255
],
[
2.8512980472011855,
0.8158247484330758,
2.291366595114831
],
[
0.6144455227988139,
2.888123561566924,
2.2762816148851686
],
[
1.145294359062581,
1.213388432319155,
4.24286310504871
],
[
2.32044921093741... | [{"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}] | [
"Zn",
"Zn",
"Zn",
"Ir",
"Ir",
"Ir",
"Ir",
"Ti"
] | 2023-11-16 06:57:59 | [
0.5,
0.125,
0.375
] | [
[
4.0182433,
0.00722593,
0.03733795
],
[
0.00722611,
4.0029507,
0.02676842
],
[
0.03733795,
0.02676778,
4.1464887
]
] | -50.562475 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
-0.00001651,
-0.00051204,
-0.00006117
],
[
0.00001651,
0.00051204,
0.00006117
],
[
-0.00003713,
-0.00016501,
-0.00013755
],
[
0.00003713,
0.00016501,
0.00013755
],
[
0.00005871,
-0.00008558,
0.00021751
],
... | 0 | 3.209086 | pbe | true | 8e600ee74dd37b0bfd0e09eaac110dc9_139_Ti1Zn3Ir4 |
[
"Ir",
"W",
"Y"
] | 4 | A2BC | Ir2WY | Y1 Ir2 W1 | 3 | [
1,
1,
1
] | 3 | [
[
4.87531621,
0,
0
],
[
0,
4.87531621,
0
],
[
0,
0,
2.93198223
]
] | agm004228684 | [
[
0,
0,
0
],
[
2.437658105,
2.437658105,
0
],
[
2.437658105,
0,
1.465991115
],
[
0,
2.437658105,
1.465991115
]
] | [{"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Ir",
"Ir",
"W",
"Y"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
7.340201,
0,
0
],
[
0,
7.340201,
0
],
[
0,
0,
7.093951
]
] | -37.799948 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000017 | 3.289697 | pbe | true | 7773af35058dc7d26e8651df9d7c71c7_123_Y1Ir2W1 |
[
"K",
"Mg",
"Os"
] | 4 | A2BC | KMgOs2 | K1 Mg1 Os2 | 3 | [
1,
1,
1
] | 3 | [
[
2.81233805,
0,
0
],
[
0,
3.82681391,
0
],
[
0,
0,
8.46649513
]
] | agm003983971 | [
[
0,
0,
3.944305813146753
],
[
1.406169025,
1.913406955,
7.068023001283062
],
[
0,
0,
0.36057566650381023
],
[
1.406169025,
1.913406955,
1.3268382140663755
]
] | [{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}] | [
"K",
"Mg",
"Os",
"Os"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
4.1051345,
0,
0
],
[
0,
4.303059,
0
],
[
0,
0,
4.119915
]
] | -23.166057 | [
0,
0,
0,
0
] | [
[
0,
0,
-0.00759643
],
[
0,
0,
-0.00354108
],
[
0,
0,
-0.00910118
],
[
0,
0,
0.02023869
]
] | 0.000005 | 2.649751 | pbe | true | 3ac796f88dc389da859561ddfe062bc4_25_K1Mg1Os2 |
[
"K",
"Na",
"S"
] | 11 | A8B2C | K2NaS8 | K2 Na1 S8 | 3 | [
1,
1,
1
] | 3 | [
[
5.96605077,
0.23583803,
0.37473005
],
[
0.49011817,
5.42154882,
2.4999993
],
[
0.72396446,
0.23994624,
9.68178186
]
] | agm005965219 | [
[
2.897362929828949,
2.3199610325028415,
3.963223146502405
],
[
4.282770470171051,
3.577372057497158,
8.593288063497594
],
[
0,
0,
0
],
[
6.017399727599829,
3.445592117627795,
5.756855272359223
],
[
5.853107199979253,
0.7395756345072071,
4.... | [{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}] | [
"K",
"K",
"Na",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.18181818181818182,
0.09090909090909091,
0.7272727272727273
] | [
[
0.34041858,
0.00088045,
-0.02187314
],
[
0.00088038,
0.2833803,
0.02115309
],
[
-0.02187302,
0.02115324,
0.27857402
]
] | -40.675992 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
-0.00112474,
-0.00192789,
-0.00128391
],
[
0.00112474,
0.00192789,
0.00128391
],
[
0,
0,
0
],
[
0.00331379,
-0.00057807,
0.00706728
],
[
0.00159586,
-0.00196774,
0.00597111
],
[
-0.00331379,
0.00057807,
-0.00706728
],
... | -0.000001 | 6.42068 | pbe | true | 6411fd98deca53b223843c5f13ac4e85_2_K2Na1S8 |
[
"K",
"Nb",
"Ti"
] | 5 | A3BC | K3NbTi | K3 Ti1 Nb1 | 3 | [
1,
1,
1
] | 3 | [
[
6.51739282,
0,
0
],
[
0,
6.51739282,
0
],
[
0,
0,
6.51739282
]
] | agm002501045 | [
[
3.25869641,
3.25869641,
3.25869641
],
[
0,
3.25869641,
0
],
[
0,
0,
3.25869641
],
[
3.25869641,
0,
0
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}] | [
"Nb",
"K",
"K",
"K",
"Ti"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
1.7096598,
0,
0
],
[
0,
1.7096598,
0
],
[
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1.7096598
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] | -11.67736 | [
3.092,
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2.184
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[
0,
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[
0,
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] | 8.13163 | 3.54527 | pbe | true | cc43690373b109d0f2cb8acb6a7abbf2_221_K3Ti1Nb1 |
[
"K",
"O",
"Os"
] | 11 | A7B2C2 | K2O7Os2 | K2 Os2 O7 | 3 | [
1,
1,
1
] | 3 | [
[
4.87905459,
-0.00208841,
-0.18191827
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[
0.0027901,
6.24031594,
0.00274148
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[
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] | agm003322092 | [
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... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}] | [
"K",
"K",
"Os",
"Os",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.18181818181818182,
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... | 0 | 3.320577 | pbe | true | 9b668796d14376e44d38393d7e9f87be_65_K2Os2O7 |
[
"K",
"Pu",
"Ru"
] | 5 | A2B2C | KPu2Ru2 | K1 Pu2 Ru2 | 3 | [
1,
1,
1
] | 3 | [
[
3.29825302,
0,
0
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[
0,
3.7435012,
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[
0,
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] | agm002374786 | [
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] | [{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"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"]}] | [
"Ru",
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"K",
"Pu",
"Pu"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
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[
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[
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[
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] | -0.001779 | 8.915508 | pbe | true | 422c2b6a55b61d152cd7d2635aabaf1f_10_K1Pu2Ru2 |
[
"K",
"Rb",
"Sn"
] | 9 | A4B3C2 | K2Rb3Sn4 | K2 Rb3 Sn4 | 3 | [
1,
1,
1
] | 3 | [
[
5.92704608,
0.35036782,
1.00536856
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[
3.34807163,
9.1771302,
0.48516597
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[
4.5003054,
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] | agm003332613 | [
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[
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2.60... | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}] | [
"K",
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"Rb",
"Rb",
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] | 2023-11-16 06:57:59 | [
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[
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[... | -0 | 4.933723 | pbe | true | 8d78185ae8db8caa9a72ba445a30f82d_2_K2Rb3Sn4 |
[
"K",
"S",
"Y"
] | 8 | A2BC | KS2Y | K2 Y2 S4 | 3 | [
1,
1,
1
] | 3 | [
[
4.01051133,
-0.00000481,
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[
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0.00000408
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[
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[
... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Y",
"Y",
"S",
"S",
"S",
"S",
"K",
"K"
] | 2023-11-16 06:57:59 | [
0.25,
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[
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[
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0.00015829... | 0 | 0 | pbe | true | 58b55488fafd3b04aadf4f9496dc1c0c_11_K2Y2S4 |
[
"K",
"Se",
"Ti"
] | 13 | A8B4C | KSe8Ti4 | K1 Ti4 Se8 | 3 | [
1,
1,
1
] | 3 | [
[
6.46911281,
-0.00000112,
2.95018288
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[
2.56185637,
5.94022851,
2.95018289
],
[
-0.35476713,
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9.34574183
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] | agm006043724 | [
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[
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[
0,
0,
0
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[
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1.1592121... | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}] | [
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"Ti",
"Ti",
"Ti",
"Ti",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.07692307692307693,
0.6153846153846154,
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[
-0.04783102,
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[
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[
0.00238118,
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],
... | -0.000121 | 4.175862 | pbe | true | e31941333d44c2922e47d83a073b4061_166_K1Ti4Se8 |
[
"La",
"Mg",
"Pm"
] | 20 | A12B7C | La7MgPm12 | La7 Pm12 Mg1 | 3 | [
1,
1,
1
] | 3 | [
[
-5.79653446,
5.79653446,
5.79653446
],
[
5.79653446,
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[
5.79653446,
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] | agm005791454 | [
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[
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[
-2.89826723,
2.8982672... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}] | [
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"Pm",
"Pm",
"Pm",
"Pm",
"Pm",
"Pm",
"Pm",
"Pm",
"Pm",
"Mg"
] | 2023-11-16 06:57:59 | [
0.35,
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0.6
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[
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0
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[
0,
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[
0,
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[
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[
-0.00080303,... | 0.000001 | 29.946852 | pbe | true | 3a0c477561bb99c8ed6bd66692530142_229_La7Pm12Mg1 |
[
"La",
"Mn",
"Tl"
] | 4 | A2BC | La2MnTl | La2 Mn1 Tl1 | 3 | [
1,
1,
1
] | 3 | [
[
4.02528573,
-0.05034461,
0.09053028
],
[
2.46625481,
3.18167362,
0.09053028
],
[
1.06904675,
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9.26405714
]
] | agm003926710 | [
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3.8108581477367647,
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2.7352543875,
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[
1.8901468225000002,
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] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}] | [
"La",
"La",
"Mn",
"Tl"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
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[
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],
[
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]
] | -20.878742 | [
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3.13,
0.014
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[
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[
0,
0,
0
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[
0,
0,
0
]
] | 2.601352 | 4.516072 | pbe | true | ee7de2cb76b5ea90d2db1af59bff0483_12_La2Mn1Tl1 |
[
"La",
"N",
"Re"
] | 15 | A10B3C2 | La3N10Re2 | La3 N10 Re2 | 3 | [
1,
1,
1
] | 3 | [
[
4.649042672,
-3.664825328,
0
],
[
4.649042672,
3.664825328,
0
],
[
-4.595457478,
0,
5.911786739
]
] | oqmd-8924045 | [
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4.64904,
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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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[
2.36331,
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[
... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}] | [
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"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"Re",
"Re"
] | 2024-11-01 00:00:00 | [
0.2,
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0.13333333333333333
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[
0,
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0
],
[
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31.60826702
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] | -128.231 | [
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0.005,
0.006,
0.048,
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[
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[
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[
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[
0.017651,
0... | 0.930121 | null | pbe | true | fe082a692fe54b6af3bcd6c9abb1ac75_12_La3Re2N10 |
[
"La",
"N",
"Tc"
] | 11 | A6B3C2 | La3N6Tc2 | La3 N6 Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
-1.969372803,
1.969372803,
9.955512978
],
[
1.969372803,
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[
1.969372803,
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]
] | oqmd-9433879 | [
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0,
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[
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3.66968
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[
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6.02456
],
[
-3.2622884157603763e-17,
3.2622884157603763e-1... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}] | [
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"N",
"N",
"N",
"N",
"Tc",
"Tc"
] | 2024-11-01 00:00:00 | [
0.2727272727272727,
0.5454545454545454,
0.18181818181818185
] | [
[
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0,
0
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[
0,
25.32231634,
0
],
[
0,
0,
26.34248865
]
] | -95.2234 | [
0.001,
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0,
0.001,
0.001,
0,
0,
0,
0,
0,
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] | [
[
0,
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[
0,
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[
0,
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[
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[
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[
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[
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[
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[
0,
0,
0.014467
... | 0.006045 | null | pbe | true | ba3e081243f8410d1ac5eacfea48bb51_139_La3Tc2N6 |
[
"La",
"N",
"V"
] | 4 | A2BC | LaNV2 | La1 V2 N1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
2.99212619,
2.99212619
],
[
2.99212619,
0,
2.99212619
],
[
2.99212619,
2.99212619,
0
]
] | agm002707969 | [
[
1.496063095,
1.496063095,
1.496063095
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[
4.488189285,
4.488189285,
4.488189285
],
[
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[
0,
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] | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}] | [
"V",
"V",
"La",
"N"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
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0,
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[
0,
0.94514525,
0
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[
0,
0,
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]
] | -27.235176 | [
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[
0,
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[
0,
0,
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[
0,
0,
0
]
] | -0.001446 | 4.409149 | pbe | true | 013a2328491a134c30cb321bee5ebd44_225_La1V2N1 |
[
"La",
"P",
"Sc"
] | 4 | A2BC | LaPSc2 | La1 Sc2 P1 | 3 | [
1,
1,
1
] | 3 | [
[
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2.63459913,
5.32453232
],
[
1.73260124,
-2.63459913,
5.32453232
],
[
1.73260124,
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]
] | agm004382546 | [
[
1.73260124,
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0
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[
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[
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3.3090860866077443
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[
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] | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"La",
"Sc",
"Sc",
"P"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
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[
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0
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[
0,
1.5274612,
0
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[
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1.471043
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] | -25.520182 | [
0.002,
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0
] | [
[
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[
0,
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[
0,
0,
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[
0,
0,
0
]
] | 0.010283 | 4.188972 | pbe | true | 075ae97d2876f048710481e1d7cab771_71_La1Sc2P1 |
[
"La",
"P",
"Ta"
] | 4 | A2BC | LaPTa2 | La1 Ta2 P1 | 3 | [
1,
1,
1
] | 3 | [
[
6.12198265,
-0.00478198,
0.00679515
],
[
3.28477474,
5.16613488,
-0.00679514
],
[
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2.61771502
]
] | agm004283187 | [
[
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[
3.3876536674999995,
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[
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] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"La",
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] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
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[
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[
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[
0.1553188,
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] | -34.138339 | [
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[
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[
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[
0.00146575,
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]
] | 0.000005 | 4.677399 | pbe | true | 8806767eb935373d28a4790f14c2c7ef_71_La1Ta2P1 |
[
"La",
"Pb",
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] | 8 | A2BC | LaPbPd2 | La2 Pd4 Pb2 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
4.83718733,
0
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[
2.41859367,
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] | agm002878144 | [
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[
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[
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[
6... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}] | [
"Pb",
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"Pd",
"Pd",
"Pd",
"Pd",
"La",
"La"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
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0
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[
0,
4.438492,
0
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[
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] | -40.369174 | [
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[
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[
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[
0,
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[
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]
] | -0.000001 | 9.276032 | pbe | true | e4515d5e63335da9c45de90979402a47_122_La2Pd4Pb2 |
[
"La",
"Pd",
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] | 12 | A3B2C | La2Pd3Pt | La4 Pd6 Pt2 | 3 | [
1,
1,
1
] | 3 | [
[
4.56159901,
0,
0
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[
-2.28079901,
3.95046029,
0
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[
0,
0,
15.21550316
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] | agm005809399 | [
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[
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[
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11.411627370... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
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"La",
"La",
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] | 2023-11-16 06:57:59 | [
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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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-0.0014... | -0.000001 | 9.439354 | pbe | true | 6bdb9e5ba647e5275b2001430d5ff527_194_La4Pd6Pt2 |
[
"La",
"Pd",
"Sn"
] | 20 | A5B3C2 | La2Pd5Sn3 | La4 Sn6 Pd10 | 3 | [
1,
1,
1
] | 3 | [
[
4.529911,
0,
-0.77165148
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[
0,
7.21768467,
0
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[
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13.25702688
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] | agm005587901 | [
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[
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... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}] | [
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] | 2023-11-16 06:57:59 | [
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[
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[
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[
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[
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0.000244... | -0.000001 | 12.909116 | pbe | true | 7c52147079842a302b1c3484d0c3eb87_36_La4Sn6Pd10 |
[
"La",
"Pd",
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] | 5 | A2B2C | LaPd2Th2 | La1 Th2 Pd2 | 3 | [
1,
1,
1
] | 3 | [
[
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[
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[
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] | agm003389202 | [
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[
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[
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0.311057583021534... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}] | [
"La",
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] | 2023-11-16 06:57:59 | [
0.2,
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[
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[
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] | -32.285743 | [
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[
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] | 0.000021 | 5.117158 | pbe | true | d3073aad13da40ebaf1b1d2aea255e1b_139_La1Th2Pd2 |
[
"La",
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"Sm"
] | 20 | A5B3C2 | La3Pm5Sm2 | La6 Pm10 Sm4 | 3 | [
1,
1,
1
] | 3 | [
[
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1.6612024,
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[
0.25755614,
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[
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] | agm005597699 | [
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[
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] | 2023-11-16 06:57:59 | [
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[
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[
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[
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0.003734... | -0.000002 | 34.297546 | pbe | true | 291239be492add98260467260f9d1435_15_La6Pm10Sm4 |
[
"La",
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"Zn"
] | 12 | ABC | LaPmZn | La4 Pm4 Zn4 | 3 | [
1,
1,
1
] | 3 | [
[
7.17389472,
0.39931456,
-0.00149254
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[
0.18072467,
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[
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] | agm003604609 | [
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[
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... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
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] | 2023-11-16 06:57:59 | [
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[
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] | -43.620035 | [
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[
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],
[
0.00347662,
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0.0023251
],
[
-0.0038293,
0.00029575,
-0.00241555
],
[
-0.00144816,
-0.00045034,
0.0006041
],
[
-0.00143359,
0.000179... | 0.00023 | 20.289064 | pbe | true | ecb9298a6451365b340c8dd2ac51f7a2_2_La4Pm4Zn4 |
[
"La",
"Sb",
"Si"
] | 4 | A2BC | La2SbSi | La2 Si1 Sb1 | 3 | [
1,
1,
1
] | 3 | [
[
5.78376144,
0,
0
],
[
0,
5.78376144,
0
],
[
0,
0,
3.32464316
]
] | agm004379182 | [
[
0,
0,
0
],
[
2.89188072,
2.89188072,
0
],
[
2.89188072,
0,
1.66232158
],
[
0,
2.89188072,
1.66232158
]
] | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"La",
"La",
"Sb",
"Si"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
1.341845,
0,
0
],
[
0,
1.341845,
0
],
[
0,
0,
1.4305298
]
] | -22.217326 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000152 | 3.748654 | pbe | true | 071f92f9ce029cc8c608d6776778d143_123_La2Si1Sb1 |
[
"Li",
"Mg",
"Pb"
] | 10 | A2B2C | LiMg2Pb2 | Li2 Mg4 Pb4 | 3 | [
1,
1,
1
] | 3 | [
[
5.82867703,
0,
0
],
[
0,
6.21530429,
0
],
[
-2.91433852,
-3.10765215,
6.78317809
]
] | agm003396299 | [
[
4.371507772499999,
3.107652145,
0
],
[
1.4571692575,
3.107652145,
0
],
[
2.914341454437434,
2.2372055808992317,
5.486866292231083
],
[
-0.0000029444374343957793,
0.8704465591007682,
1.2963117977689165
],
[
2.9143355705625655,
5.34485772898816... | [{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}] | [
"Li",
"Li",
"Mg",
"Mg",
"Mg",
"Mg",
"Pb",
"Pb",
"Pb",
"Pb"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.4
] | [
[
3.3322163,
0,
0
],
[
0,
3.3294833,
0
],
[
0,
0,
3.3265052
]
] | -25.571726 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
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[
0,
0,
0
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[
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0.00960569
],
[
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[
0,
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[
0,
-0.00945475,
0.00960569
],
[
0,
0.00000612,
-0.00147402
],
[
0,
-0.00... | -0.000001 | 3.698133 | pbe | true | 136138e46387e589698bcd5aa1836f74_72_Li2Mg4Pb4 |
[
"Li",
"Mg",
"Sn"
] | 16 | A14BC | LiMg14Sn | Li1 Mg14 Sn1 | 3 | [
1,
1,
1
] | 3 | [
[
3.14365579,
-5.60636075,
0
],
[
3.14365579,
5.60636075,
0
],
[
0,
0,
10.27442094
]
] | agm005234329 | [
[
3.14365579,
1.88822544016202,
5.13721047
],
[
3.14365579,
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0
],
[
3.14365579,
1.8931268571113151,
0
],
[
1.5524859554574248,
-0.9592357100133125,
5.13721047
],
[
1.569899293609393,
-0.8990667887905175,
0
],
[
4.... | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}] | [
"Li",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Sn"
] | 2023-11-16 06:57:59 | [
0.0625,
0.875,
0.0625
] | [
[
1.0886558,
0,
0
],
[
0,
0.8520717,
0
],
[
0,
0,
0.99080455
]
] | -28.806687 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
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0
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[
0,
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0
],
[
0,
0.0023825,
0
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[
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0
],
[
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0
],
[
0.00286707,
0.00816649,
0
],
[
0.00016165,
-0.0020147,
0
],
[
0.010... | 0 | 8.268202 | pbe | true | 1d668e6c70ddf9a00df132137dad6a85_38_Li1Mg14Sn1 |
[
"Li",
"Mn",
"Re"
] | 4 | A2BC | Li2MnRe | Li2 Mn1 Re1 | 3 | [
1,
1,
1
] | 3 | [
[
9.57186187,
-0.02225606,
-0.01301507
],
[
9.20291489,
2.63199401,
-0.01301507
],
[
9.20291489,
1.27922673,
2.300248
]
] | agm004334038 | [
[
0.029554514351393998,
0.0041081467293647995,
0.0024023927785895996
],
[
13.959291310648606,
1.9403741932706353,
1.1347065372214105
],
[
6.994422912500001,
0.97224117,
0.568554465
],
[
20.9832687375,
2.91672351,
1.705663395
]
] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}] | [
"Li",
"Li",
"Mn",
"Re"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
2.7937465,
-0.11724505,
-0.06856344
],
[
-0.11724505,
3.6209245,
-0.00953048
],
[
-0.06856344,
-0.00953048,
3.6316485
]
] | -23.871409 | [
-0.038,
-0.038,
3.252,
0.582
] | [
[
0.0026597,
0.0003697,
0.0002162
],
[
-0.0026597,
-0.0003697,
-0.0002162
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.900985 | 4.588737 | pbe | true | 2caa821a64452b234f66d40b51907b31_166_Li2Mn1Re1 |
[
"Li",
"Mn",
"Ru"
] | 10 | A2B2C | LiMn2Ru2 | Li2 Mn4 Ru4 | 3 | [
1,
1,
1
] | 3 | [
[
7.26549538,
0,
0
],
[
0,
7.26549538,
0
],
[
0,
0,
2.63587103
]
] | agm002990955 | [
[
2.6654566164782842,
6.298204306478284,
0
],
[
6.298204306478284,
4.600038763521716,
0
],
[
4.600038763521716,
0.9672910735217157,
0
],
[
0.9672910735217157,
2.6654566164782842,
0
],
[
1.1795885579055008,
4.812336247905501,
1.317935515
]... | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}] | [
"Ru",
"Ru",
"Ru",
"Ru",
"Mn",
"Mn",
"Mn",
"Mn",
"Li",
"Li"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.4
] | [
[
5.181785,
0,
0
],
[
0,
5.181785,
0
],
[
0,
0,
8.697873
]
] | -75.509764 | [
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-0.408,
-0.397,
-0.408,
1.685,
1.687,
1.684,
1.687,
-0.009,
-0.009
] | [
[
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0
],
[
-0.00930691,
0.00930691,
0
],
[
0.00930691,
0.00930691,
0
],
[
0.00930691,
-0.00930691,
0
],
[
0.01884975,
0.01884975,
0
],
[
0.01884975,
-0.01884975,
0
],
[
-0.01884975,
-0.018... | 5.322605 | 11.037167 | pbe | true | b5822e3a93fe3107ebdf2473f5e5e81e_127_Li2Mn4Ru4 |
[
"Li",
"Mn",
"Sb"
] | 4 | A2BC | LiMnSb2 | Li1 Mn1 Sb2 | 3 | [
1,
1,
1
] | 3 | [
[
3.27721351,
-0.01153314,
0
],
[
-0.74941353,
3.19039821,
0
],
[
0,
0,
8.08151686
]
] | agm004075841 | [
[
1.26389999,
1.589432535,
2.020379215
],
[
1.26389999,
1.589432535,
6.0611376450000005
],
[
0,
0,
7.924356733035942
],
[
0,
0,
4.197918556964059
]
] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}] | [
"Li",
"Mn",
"Sb",
"Sb"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
0.7139752,
0.18239124,
0
],
[
0.18239124,
0.79830784,
0
],
[
0,
0,
0.60154
]
] | -19.64989 | [
0.011,
3.391,
-0.053,
-0.053
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00087388
],
[
0,
0,
-0.00087388
]
] | 3.437485 | 1.61566 | pbe | true | c372106c403c92da1ad72e40d1046373_65_Li1Mn1Sb2 |
[
"Li",
"Mo",
"Pb"
] | 4 | A2BC | LiMoPb2 | Li1 Mo1 Pb2 | 3 | [
1,
1,
1
] | 3 | [
[
5.71871363,
-0.01636456,
0.01689002
],
[
4.87910879,
2.98299359,
0.01689002
],
[
0.56649217,
0.15857712,
4.94411263
]
] | agm003923074 | [
[
5.704812734505595,
1.5969377877289408,
2.5883547328454646
],
[
2.736690003646736,
0.766076623880621,
1.106287218815685
],
[
10.526007823276814,
2.946526101593013,
0.28009268084854383
],
[
8.37678363759263,
2.344897712131135,
3.5258844121525064
]
] | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}] | [
"Li",
"Mo",
"Pb",
"Pb"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
5.276007,
0.03819971,
0.03206619
],
[
0.03819971,
5.150238,
0.00897623
],
[
0.03206615,
0.00897622,
5.0160294
]
] | -18.553619 | [
0,
0,
0,
0
] | [
[
-0.00064529,
-0.00018064,
0.00201244
],
[
-0.00280507,
-0.00078522,
0.00022388
],
[
-0.00125077,
-0.00035012,
0.00216947
],
[
0.00470113,
0.00131598,
-0.00440578
]
] | -0.000195 | 3.391062 | pbe | true | 2d4cea7dc35f3e5d598b47bdf225688a_8_Li1Mo1Pb2 |
[
"Li",
"N",
"Tc"
] | 3 | ABC | LiNTc | Li1 Tc1 N1 | 3 | [
1,
1,
1
] | 3 | [
[
4.35992303,
0,
0
],
[
0,
3.31032175,
0
],
[
0,
-1.65516088,
2.86682273
]
] | agm001270065 | [
[
2.9155949781405375,
1.6551608898849424,
0.9556075671105908
],
[
0.7278680914302651,
-1.9884942255659578e-8,
1.9112151628894092
],
[
0.7164599168299671,
0,
0
]
] | [{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}] | [
"Li",
"Tc",
"N"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
0.9250254,
0,
0
],
[
0,
-0.08047712,
0
],
[
0,
0,
-0.08047712
]
] | -20.683426 | [
0,
0,
0
] | [
[
-0.00057182,
0,
0
],
[
0.00153223,
0,
0
],
[
-0.00096042,
0,
0
]
] | 0.000002 | 1.6545 | pbe | true | 324d8eedca28cfc0dc895674c1f854b9_156_Li1Tc1N1 |
[
"Li",
"Na",
"Rh"
] | 4 | A2BC | LiNa2Rh | Na2 Li1 Rh1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.41098575,
3.41098575
],
[
3.41098575,
0,
3.41098575
],
[
3.41098575,
3.41098575,
0
]
] | agm002695037 | [
[
1.705492875,
1.705492875,
1.705492875
],
[
5.116478625,
5.116478625,
5.116478625
],
[
3.41098575,
3.41098575,
3.41098575
],
[
0,
0,
0
]
] | [{"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": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Na",
"Na",
"Rh",
"Li"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
4.047743,
0,
0
],
[
0,
4.047743,
0
],
[
0,
0,
4.047743
]
] | -10.605078 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 0.67672 | pbe | true | 2c447e526e2549baf5323d76cae343f9_225_Na2Li1Rh1 |
[
"Li",
"Nd",
"Sc"
] | 3 | ABC | LiNdSc | Li1 Nd1 Sc1 | 3 | [
1,
1,
1
] | 3 | [
[
3.41508305,
0,
0
],
[
-1.70754153,
2.95754868,
0
],
[
0,
0,
8.13373255
]
] | agm001269923 | [
[
1.7075415404087484,
0.9858495501415043,
2.6578201740859813
],
[
-2.0408748792328393e-8,
1.9716991298584956,
5.37956213222253
],
[
0,
0,
0.096350243691488
]
] | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}] | [
"Sc",
"Nd",
"Li"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
1.2263968,
0,
0
],
[
0,
1.2263968,
0
],
[
0,
0,
1.4408922
]
] | -12.581145 | [
0.185,
0.008,
0.011
] | [
[
0,
0,
-0.00276258
],
[
0,
0,
0.00026501
],
[
0,
0,
0.00249758
]
] | 0.392805 | 3.811924 | pbe | true | d1ff1ef3b4b81cc777f0e7e92f54daf4_156_Li1Nd1Sc1 |
[
"Li",
"Nd",
"Sm"
] | 4 | A2BC | Li2NdSm | Li2 Nd1 Sm1 | 3 | [
1,
1,
1
] | 3 | [
[
5.38020643,
0,
0
],
[
2.69010321,
4.65939544,
0
],
[
2.69010321,
1.55313181,
4.39292015
]
] | agm001092669 | [
[
5.380206425000001,
3.106263625,
2.196460075
],
[
0,
0,
0
],
[
2.6901032125000004,
1.5531318125,
1.0982300375
],
[
8.0703096375,
4.6593954375,
3.2946901125
]
] | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}] | [
"Nd",
"Sm",
"Li",
"Li"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
0.23100065,
0,
0
],
[
0,
0.23100065,
0
],
[
0,
0,
0.23100065
]
] | -12.700531 | [
0.071,
0.085,
0.004,
0.004
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[
0,
0,
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.363637 | 6.078104 | pbe | true | b134ccff953adf148ee9c570988ce2fa_225_Li2Nd1Sm1 |
[
"Li",
"Nd",
"Zr"
] | 6 | ABC | LiNdZr | Li2 Nd2 Zr2 | 3 | [
1,
1,
1
] | 3 | [
[
3.85240056,
0,
0
],
[
0,
3.85240056,
0
],
[
0,
0,
10.91571488
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] | agm001048532 | [
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[
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[
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[
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[
1.92620028,
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[
0,
1.92620028,
10.2327319171305... | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}] | [
"Zr",
"Zr",
"Nd",
"Nd",
"Li",
"Li"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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[
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1.1373336,
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[
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] | -29.911291 | [
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[
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[
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[
0,
0,
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[
0,
0,
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]
] | 0.000049 | 6.221183 | pbe | true | 551fa9ba762a056ca463f125f1468e77_129_Li2Nd2Zr2 |
[
"Li",
"O",
"Sb"
] | 10 | A3BC | Li3OSb | Li6 Sb2 O2 | 3 | [
1,
1,
1
] | 3 | [
[
3.85656286,
0,
0
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[
-1.92828143,
5.17740764,
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[
0,
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] | agm003725311 | [
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[
1.763785895623471e-17,
3.2939831326433042,
-0.069814527996295... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}] | [
"Li",
"Li",
"Li",
"Li",
"Li",
"Li",
"Sb",
"Sb",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
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[
0,
0.2900658,
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[
0,
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] | -41.645784 | [
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[
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[
0,
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[
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... | -0.000001 | 0.86455 | pbe | true | 20ff030767005139e01d0d53086fec08_12_Li6Sb2O2 |
[
"Li",
"Os",
"Y"
] | 6 | A4BC | LiOs4Y | Li1 Y1 Os4 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.72051054,
3.72051054
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[
3.72051054,
0,
3.72051054
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[
3.72051054,
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0
]
] | agm005428734 | [
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[
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[
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[
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[
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],... | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Li",
"Y",
"Os",
"Os",
"Os",
"Os"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
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[
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] | -52.786809 | [
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[
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[
0.00204481,
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0.00204481
]
] | 0.000127 | 7.442893 | pbe | true | 966e82567a55818774e0b77c79223695_216_Li1Y1Os4 |
[
"Li",
"Pt",
"Sb"
] | 4 | A2BC | LiPtSb2 | Li1 Sb2 Pt1 | 3 | [
1,
1,
1
] | 3 | [
[
4.20814264,
-0.55504863,
-0.39041027
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[
2.5696666,
3.37836603,
-0.39041027
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[
0.54061996,
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] | agm004258749 | [
[
4.37127638079083,
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[
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4.572645458163445
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[
2.2658280785657623,
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] | [{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"Li",
"Pt",
"Sb",
"Sb"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
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[
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[
0.03664957,
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1.51625
]
] | -18.355165 | [
0,
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] | [
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[
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[
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[
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]
] | -0 | 1.400139 | pbe | true | 0cad09ceca25459e92feb1a85ad32857_164_Li1Sb2Pt1 |
[
"Mo",
"Pb",
"Ru"
] | 3 | ABC | MoPbRu | Mo1 Ru1 Pb1 | 3 | [
1,
1,
1
] | 3 | [
[
3.02135949,
0,
0
],
[
-1.51067975,
2.61657408,
0
],
[
0,
0,
7.0153074
]
] | agm004320983 | [
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0,
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[
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2.360956667196492
],
[
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4.87008883331586
]
] | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}] | [
"Mo",
"Pb",
"Ru"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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[
0,
8.291953,
0
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[
0,
0,
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] | -22.231103 | [
0,
0,
0
] | [
[
0,
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[
0,
0,
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[
0,
0,
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]
] | -0.000008 | 2.116568 | pbe | true | 5c9a433bc8984e9615b65765f2467ff3_156_Mo1Ru1Pb1 |
[
"Li",
"Ru",
"Sn"
] | 3 | ABC | LiRuSn | Li1 Sn1 Ru1 | 3 | [
1,
1,
1
] | 3 | [
[
3.34872254,
0,
0
],
[
0,
3.34872254,
0
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[
-1.67436127,
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4.1930238
]
] | agm001846793 | [
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[
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[
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] | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}] | [
"Ru",
"Sn",
"Li"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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[
0,
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[
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] | -15.581674 | [
0,
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] | [
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0,
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[
0,
0,
0.00110931
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[
0,
0,
-0.00137743
]
] | 0 | 1.452405 | pbe | true | 1c007eb3c9c4e16c0e5d10c7cc1e48a1_107_Li1Sn1Ru1 |
[
"Li",
"S",
"Sc"
] | 8 | A4B3C | LiS4Sc3 | Li1 Sc3 S4 | 3 | [
1,
1,
1
] | 3 | [
[
3.67304293,
0,
0
],
[
0,
6.38226885,
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[
0,
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]
] | agm003557162 | [
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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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1.0801421832435194,
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[
1.836521465,
4.287310630070355,
1.4641... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}] | [
"Li",
"Sc",
"Sc",
"Sc",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.125,
0.5,
0.375
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[
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[
0,
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[
0,
0.11351699,
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] | -52.206263 | [
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[
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[
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[
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[
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[
0,
0.0002736,
0.00037919
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[
0,
0.00073655,
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]
] | -0.000053 | 3.076511 | pbe | true | 277e868723b4e2af324e5e276ed4db75_65_Li1Sc3S4 |
[
"Li",
"Te",
"Y"
] | 4 | A2BC | LiTe2Y | Li1 Y1 Te2 | 3 | [
1,
1,
1
] | 3 | [
[
4.14168757,
-2.39120443,
0
],
[
0,
4.78240887,
0
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[
0,
0,
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] | agm003097246 | [
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[
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[
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[
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] | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Y",
"Te",
"Te",
"Li"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
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[
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[
0,
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[
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] | -18.755767 | [
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[
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[
0,
0,
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[
0,
0,
-0.00027636
]
] | 0 | 0 | pbe | true | b883b888b31fb4308ed6ba4dd2492410_156_Li1Y1Te2 |
[
"Li",
"Tl",
"Tm"
] | 8 | A4B3C | LiTl3Tm4 | Li1 Tm4 Tl3 | 3 | [
1,
1,
1
] | 3 | [
[
4.95279673,
1e-8,
-1.33692712
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[
-0.35536149,
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[
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]
] | agm005955538 | [
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[
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[
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[
1.4744447845991184,
1.5603437363515462,
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[
2.787268815400... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}] | [
"Tl",
"Tl",
"Tl",
"Tm",
"Tm",
"Tm",
"Tm",
"Li"
] | 2023-11-16 06:57:59 | [
0.125,
0.375,
0.5
] | [
[
2.3750496,
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[
0.01911361,
2.372401,
0.07080885
],
[
0.07961384,
0.07080872,
2.6484969
]
] | -28.835127 | [
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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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[
-0.00106405,
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],
... | 0.000558 | 5.671906 | pbe | true | bc728ba21396d3837d197c115f7101b4_139_Li1Tm4Tl3 |
[
"Na",
"Pb",
"Sm"
] | 3 | ABC | NaPbSm | Na1 Sm1 Pb1 | 3 | [
1,
1,
1
] | 3 | [
[
5.24690824,
0,
0
],
[
2.62345412,
4.54395583,
0
],
[
2.62345412,
1.51465194,
4.28408264
]
] | agm001239978 | [
[
2.62345412,
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1.07102066
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[
5.24690824,
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],
[
0,
0,
0
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] | [{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}] | [
"Pb",
"Na",
"Sm"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
2.1524105,
0,
0
],
[
0,
2.1524105,
0
],
[
0,
0,
2.1524105
]
] | -10.408203 | [
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000004 | -0.096652 | pbe | true | 50f054eb97c7f496f0dfa772509ffbd5_216_Na1Sm1Pb1 |
[
"Lu",
"Pd",
"Zn"
] | 3 | ABC | LuPdZn | Lu1 Zn1 Pd1 | 3 | [
1,
1,
1
] | 3 | [
[
3.39866091,
0,
0
],
[
0,
4.42620269,
0
],
[
0,
-2.21310134,
3.83320397
]
] | agm001268930 | [
[
0.5670204869915604,
0,
0
],
[
2.2659554398214636,
2.2131013687976804,
1.27773464388932
],
[
0.5656849831869759,
-1.879768031619861e-8,
2.55546932611068
]
] | [{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}] | [
"Zn",
"Lu",
"Pd"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
4.3140783,
0,
0
],
[
0,
4.127194,
0
],
[
0,
0,
4.127194
]
] | -13.03207 | [
0,
0,
0
] | [
[
-0.00125737,
0,
0
],
[
-0.0006232,
0,
0
],
[
0.00188057,
0,
0
]
] | 0.000014 | 1.480641 | pbe | true | e4637b99d56b6eddacf762bc304dcf03_187_Lu1Zn1Pd1 |
[
"Lu",
"Pm",
"Zn"
] | 4 | A2BC | LuPm2Zn | Pm2 Lu1 Zn1 | 3 | [
1,
1,
1
] | 3 | [
[
5.3847209,
0,
0
],
[
2.69236045,
4.66330509,
0
],
[
2.69236045,
1.55443503,
4.3966062
]
] | agm001101484 | [
[
5.3847209,
3.10887006,
2.1983031
],
[
0,
0,
0
],
[
2.69236045,
1.55443503,
1.09915155
],
[
8.07708135,
4.66330509,
3.2974546499999997
]
] | [{"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}] | [
"Zn",
"Lu",
"Pm",
"Pm"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
1.446507,
0,
0
],
[
0,
1.446507,
0
],
[
0,
0,
1.446507
]
] | -15.284047 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000002 | 4.360887 | pbe | true | 5bd1158349c7a02272a262e1231c1f7e_225_Pm2Lu1Zn1 |
[
"Lu",
"Rh",
"Se"
] | 5 | A3BC | LuRhSe3 | Lu1 Rh1 Se3 | 3 | [
1,
1,
1
] | 3 | [
[
4.35349629,
-0.00416,
0
],
[
-0.09786919,
5.81643306,
0
],
[
0,
0,
18.5103907
]
] | agm2000059845 | [
[
2.7377860866024983,
4.068361736754277,
9.25519535
],
[
0.6713900158033793,
0.43043145371586833,
9.25519535
],
[
0.5618313651248208,
4.588888779086583,
11.01039076372182
],
[
0.5618313651248208,
4.588888779086583,
7.499999936278181
],
[
2.84549719... | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}] | [
"Lu",
"Rh",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
0.56344384,
0.00340131,
0
],
[
0.0034013,
0.5890088,
0
],
[
0,
0,
-0.04142077
]
] | -25.947858 | [
0,
0,
0,
0,
0
] | [
[
0.01203699,
-0.00251162,
0
],
[
-0.03348921,
0.00696409,
0
],
[
0.00667687,
-0.00230107,
-0.00100124
],
[
0.00667687,
-0.00230107,
0.00100124
],
[
0.00809847,
0.00014968,
0
]
] | 0.000008 | 2.072094 | pbe | true | a49ba514af3de2689c913214ad19eb1f_6_Lu1Rh1Se3 |