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 ⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"As",
"F",
"I",
"Sb"
] | 5 | A2BCD | AsFISb2 | Sb2 As1 I1 F1 | 4 | [
1,
1,
1
] | 3 | [
[
4.68473427,
0,
0
],
[
0,
4.68473427,
0
],
[
0,
0,
5.99200006
]
] | agm001779972 | [
[
0,
0,
2.99600003
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[
0,
2.342367135,
0
],
[
2.342367135,
0,
0
],
[
2.342367135,
2.342367135,
2.99600003
],
[
0,
0,
0
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "I", "attached":... | [
"I",
"Sb",
"Sb",
"As",
"F"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
0.17965838,
0,
0
],
[
0,
0.17965838,
0
],
[
0,
0,
0.40373507
]
] | -15.25213 | [
0,
0,
0,
0,
0
] | [
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0,
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 5.046181 | pbe | true | 78e631b8a5d36532c21279975627d711_123_Sb2As1I1F1 |
[
"As",
"F",
"K",
"Sr"
] | 9 | A6BCD | AsF6KSr | K1 Sr1 As1 F6 | 4 | [
1,
1,
1
] | 3 | [
[
6.13799885,
0.0009925,
0.00014662
],
[
3.06990299,
5.3155081,
-0.000506
],
[
0.00013396,
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5.34856717
]
] | agm005097352 | [
[
9.207535485881627,
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],
[
6.138188507927425,
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2.674260081517193
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[
3.069145123373678,
1.7718942216826368,
2.673938125520353
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[
1.317868649231946,
1.8355842131363804,
1.542839067117458
],
[... | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Sr", "attached": ... | [
"K",
"Sr",
"As",
"F",
"F",
"F",
"F",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.1111111111111111,
0.6666666666666666,
0.1111111111111111,
0.1111111111111111
] | [
[
1.7892005,
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[
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],
[
-0.00266864,
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3.7259614
]
] | -44.089458 | [
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
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[
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[
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],
[
0.00043755,
0.00028755,
0.00015003
],
[
-0.0008767,
0.00074... | 0 | 0 | pbe | true | 7d3f1f73dffda201ce54d9fc13655a33_149_K1Sr1As1F6 |
[
"As",
"F",
"Pb",
"Rb"
] | 10 | A6B2CD | AsF6PbRb2 | Rb2 As1 Pb1 F6 | 4 | [
1,
1,
1
] | 3 | [
[
6.35933654,
0,
0
],
[
0,
6.35933654,
0
],
[
3.17966827,
3.17966827,
5.47173231
]
] | agm004485667 | [
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0,
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0
],
[
3.17966827,
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0
],
[
6.35933654,
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[
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[
3.1796682382033175,
3.1796682382033175,
3.08481422828043
],
[
6.359336571796683,
6.359336571796683,
... | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Rb", "attached"... | [
"Pb",
"As",
"Rb",
"Rb",
"F",
"F",
"F",
"F",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.1,
0.6,
0.1,
0.2
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1.4944568,
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0
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[
0,
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0
],
[
0,
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]
] | -43.771005 | [
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0.001,
0.001,
0.024,
0.024,
0.02,
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0
],
[
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0
],
[
-0.0036935,
0.0036935... | 1 | 0 | pbe | true | 0ff9c3012984c8afd6066eceb3843606_139_Rb2As1Pb1F6 |
[
"As",
"Fe",
"Ga",
"Re"
] | 5 | A2BCD | AsFeGaRe2 | Ga1 Fe1 Re2 As1 | 4 | [
1,
1,
1
] | 3 | [
[
4.57012651,
0,
0
],
[
0,
4.57012651,
0
],
[
0,
0,
4.60917825
]
] | agm001428188 | [
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0,
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0
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[
2.285063255,
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[
0,
0,
2.304589125
],
[
2.285063255,
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[
0,
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]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Re", "attached"... | [
"Re",
"Re",
"As",
"Fe",
"Ga"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
2.1732666,
0,
0
],
[
0,
2.1732666,
0
],
[
0,
0,
3.6850903
]
] | -29.600205 | [
0.581,
0.581,
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-0.015
] | [
[
0,
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0,
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.117556 | 8.534486 | pbe | true | 3549b9a797b7d51591a1f428a0389009_123_Ga1Fe1Re2As1 |
[
"As",
"Fe",
"Li",
"O"
] | 28 | A4BCD | AsFeLiO4 | Li4 Fe4 As4 O16 | 4 | [
1,
1,
1
] | 3 | [
[
4.95407911,
-0.00053285,
0.00075484
],
[
0.00076389,
6.16666091,
0.00036238
],
[
-0.00164196,
-0.00072598,
10.7384388
]
] | agm003237272 | [
[
0.0007810225670827001,
6.16663432752468,
0.0003967440540486
],
[
2.4762626328479507,
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5.369612191422241
],
[
4.952817406148565,
3.081935779107951,
10.73929396131596
],
[
2.476616299519516,
3.0827138536441328,
5.369945318038194
],
... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Fe", "attached": ... | [
"Li",
"Li",
"Li",
"Li",
"Fe",
"Fe",
"Fe",
"Fe",
"As",
"As",
"As",
"As",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.14285714285714285,
0.14285714285714285,
0.14285714285714285,
0.5714285714285714
] | [
[
1.056572,
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0.0020374
],
[
-0.00048984,
1.0844464,
0.00280379
],
[
0.00203703,
0.0028035,
1.1868688
]
] | -172.725105 | [
0.001,
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0.001,
0.001,
3.78,
3.78,
3.78,
3.78,
0.011,
0.011,
0.011,
0.011,
0.015,
0.015,
0.015,
0.015,
0.025,
0.025,
0.025,
0.025,
0.038,
0.038,
0.038,
0.038,
0.038,
0.038,
0.038,
0.038
] | [
[
0.00017784,
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],
[
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],
[
0.0001564,
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0.00002428
],
[
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0.00008532,
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],
[
-0.01941105,
0.00001855,
-0.00253597
],
[
0.01947404,
-0.0000399... | 16.000174 | 0 | pbe | true | 43ef592ed61a1d489744d036382cb773_62_Li4Fe4As4O16 |
[
"As",
"Fe",
"Se",
"V"
] | 5 | A2BCD | AsFeSe2V | V1 Fe1 As1 Se2 | 4 | [
1,
1,
1
] | 3 | [
[
4.77682584,
0,
0
],
[
0,
4.77682584,
0
],
[
0,
0,
4.34504416
]
] | agm001789836 | [
[
0,
0,
2.17252208
],
[
0,
0,
0
],
[
0,
2.38841292,
0
],
[
2.38841292,
0,
0
],
[
2.38841292,
2.38841292,
2.17252208
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Se", "attached"... | [
"As",
"Fe",
"Se",
"Se",
"V"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
3.12339,
0,
0
],
[
0,
3.12339,
0
],
[
0,
0,
3.164342
]
] | -25.709837 | [
0.045,
-1.159,
-0.011,
-0.011,
-0.013
] | [
[
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[
0,
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -1.184554 | 7.671014 | pbe | true | f9c0b6d7fb37c10f08ba96b74f6661f9_123_V1Fe1As1Se2 |
[
"As",
"Fe",
"Se",
"Zr"
] | 5 | A2BCD | As2FeSeZr | Zr1 Fe1 As2 Se1 | 4 | [
1,
1,
1
] | 3 | [
[
4.45220986,
0,
0
],
[
0,
4.45220986,
0
],
[
0,
0,
5.01652275
]
] | agm001676864 | [
[
0,
2.22610493,
0
],
[
2.22610493,
0,
0
],
[
0,
0,
2.508261375
],
[
2.22610493,
2.22610493,
2.508261375
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Se", "attached"... | [
"As",
"As",
"Se",
"Zr",
"Fe"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
1.4353628,
0,
0
],
[
0,
1.4353628,
0
],
[
0,
0,
1.4126593
]
] | -29.000969 | [
-0.019,
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0.392,
1.063
] | [
[
0,
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0
],
[
0,
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],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.555681 | 5.650185 | pbe | true | 44f194638490b0e8e2e6ca6138eade58_123_Zr1Fe1As2Se1 |
[
"As",
"Ga",
"La",
"Pd"
] | 10 | A6B2CD | AsGaLa2Pd6 | La2 Ga1 As1 Pd6 | 4 | [
1,
1,
1
] | 3 | [
[
6.52744342,
-0.67839421,
-1.16252052
],
[
-0.57417688,
6.46041182,
1.07895848
],
[
2.16810378,
3.68534002,
4.98473104
]
] | agm004931593 | [
[
5.816797459459762,
3.0225089731052344,
1.9595023878763396
],
[
2.304579397790145,
6.444841879726112,
2.941641601570618
],
[
2.9766321329889056,
2.891009989102386,
-0.04177607168488749
],
[
5.953265929020489,
5.782018213488225,
-0.08355907979342513
],
... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Pd", "attached"... | [
"La",
"La",
"Ga",
"As",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.1,
0.1,
0.2,
0.6
] | [
[
5.4507046,
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0.01583223
],
[
-0.09413966,
5.4425387,
0.0332961
],
[
0.01583214,
0.03329617,
5.5793533
]
] | -56.16141 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00102586,
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[
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[
0,
0,
0
],
[
0,
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[
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],
[
0.00234507,
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-0.00347571
],
[
-0.00133153,
0.00... | -0.000001 | 3.675489 | pbe | true | bcb0362f653bf1d46bf0aedbd73c799c_2_La2Ga1As1Pd6 |
[
"As",
"Ga",
"N",
"Se"
] | 5 | A2BCD | As2GaNSe | Ga1 As2 Se1 N1 | 4 | [
1,
1,
1
] | 3 | [
[
4.95661624,
0,
0
],
[
0,
4.95661624,
0
],
[
0,
0,
5.02346024
]
] | agm001677726 | [
[
0,
2.47830812,
0
],
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2.47830812,
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0
],
[
0,
0,
0
],
[
0,
0,
2.51173012
],
[
2.47830812,
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2.51173012
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "N", "attached":... | [
"As",
"As",
"Ga",
"Se",
"N"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
0.2573712,
0,
0
],
[
0,
0.2573712,
0
],
[
0,
0,
0.5640606
]
] | -16.180403 | [
-0.083,
-0.083,
0.001,
0.049,
1.731
] | [
[
0,
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[
0,
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.30881 | 3.370472 | pbe | true | d2d14e59de1b5f3c2328771dcb3e514d_123_Ga1As2Se1N1 |
[
"As",
"Ga",
"Sb",
"Te"
] | 5 | A2BCD | AsGaSb2Te | Ga1 Sb2 Te1 As1 | 4 | [
1,
1,
1
] | 3 | [
[
5.30088037,
0,
0
],
[
0,
5.30088037,
0
],
[
0,
0,
5.23530019
]
] | agm001783890 | [
[
0,
2.650440185,
0
],
[
2.650440185,
0,
0
],
[
2.650440185,
2.650440185,
2.617650095
],
[
0,
0,
2.617650095
],
[
0,
0,
0
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Te", "attached"... | [
"Sb",
"Sb",
"As",
"Te",
"Ga"
] | 2023-11-16 06:57:59 | [
0.2,
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0.4,
0.2
] | [
[
0.68639976,
0,
0
],
[
0,
0.68639976,
0
],
[
0,
0,
0.6307026
]
] | -15.435715 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 4.628371 | pbe | true | 1766e0458097f6e2e6dfb1061f4f22fa_123_Ga1Sb2Te1As1 |
[
"As",
"Ga",
"S",
"Zn"
] | 4 | ABCD | AsGaSZn | Zn1 Ga1 As1 S1 | 4 | [
1,
1,
1
] | 3 | [
[
3.97058595,
-0.0023079,
-0.00909569
],
[
-1.98332779,
3.43976293,
0.00909569
],
[
-1.97120714,
-1.15357104,
6.46353515
]
] | agm005191246 | [
[
0.46296491273951557,
2.025514567810036,
0.47964005432097345
],
[
0.46823477085476917,
-0.2706954332076399,
3.6482429960063607
],
[
-1.5145393663337285,
0.875584048114785,
4.483166118157558
],
[
-1.5200334751356341,
3.1719236698075486,
1.2847959808766647
... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Zn", "attached": ... | [
"Zn",
"Ga",
"As",
"S"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
1.8715602,
0.016818,
-0.00141071
],
[
0.016818,
1.8909284,
0.00081556
],
[
-0.00141096,
0.0008157,
1.9447943
]
] | -15.255401 | [
0,
0,
0,
0
] | [
[
-0.0001835,
0.00010609,
0.00041069
],
[
0.00020987,
-0.00012133,
0.00071686
],
[
0.00015808,
-0.00009139,
0.00057083
],
[
-0.00018445,
0.00010664,
-0.00169838
]
] | 0 | -0.006681 | pbe | true | 4b75a3405a97b19f905912ba990410eb_160_Zn1Ga1As1S1 |
[
"As",
"Ge",
"I",
"Nd"
] | 12 | A6B3C2D | AsGe2I3Nd6 | Nd6 Ge2 As1 I3 | 4 | [
1,
1,
1
] | 3 | [
[
7.52302482,
-0.00072863,
0.00101871
],
[
-3.76031247,
6.51582329,
0.00101871
],
[
-1.25397989,
-2.17125226,
7.70350608
]
] | agm004623009 | [
[
3.767088146467699,
2.1638984332253295,
6.182409135865896
],
[
2.5034483177452556,
4.334692968180888,
1.5237979079497272
],
[
-1.2583556864677,
2.17994396677467,
1.5231343641341049
],
[
-0.008332194605133666,
4.344345763664498,
6.182409135865896
],
[
... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Nd", "attached"... | [
"Nd",
"Nd",
"Nd",
"Nd",
"Nd",
"Nd",
"Ge",
"Ge",
"As",
"I",
"I",
"I"
] | 2023-11-16 06:57:59 | [
0.08333333333333333,
0.16666666666666666,
0.25,
0.5
] | [
[
0.6264211,
-0.00761705,
-0.00134857
],
[
-0.00761705,
0.6176314,
-0.00233503
],
[
-0.00134863,
-0.00233513,
0.68081594
]
] | -60.651881 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
-0.00137596,
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0.00433443
],
[
-0.0014503,
-0.00251118,
-0.00231195
],
[
0.00137596,
0.00095706,
-0.00433443
],
[
-0.00014133,
-0.0016701,
0.00433443
],
[
0.0014503,
0.00251118,
0.00231195
],
[
0.00014133,
0.0016701... | -0.000011 | 5.161833 | pbe | true | fdc15acd4d2f5a8716c89d2cc7a7ab61_12_Nd6Ge2As1I3 |
[
"As",
"Ge",
"Ni",
"Pu"
] | 10 | A4B3C2D | AsGe3Ni4Pu2 | Pu2 Ni4 Ge3 As1 | 4 | [
1,
1,
1
] | 3 | [
[
4.17607801,
0,
0
],
[
0,
4.17607801,
0
],
[
0,
0,
9.40657844
]
] | agm004510185 | [
[
2.088039005,
0,
2.341873056316528
],
[
0,
2.088039005,
7.064705383683473
],
[
2.088039005,
2.088039005,
0
],
[
0,
0,
0
],
[
2.088039005,
0,
5.8440504792463726
],
[
0,
2.088039005,
3.5625279607536275
],
[
0,
0,
... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Ni", "attached"... | [
"Pu",
"Pu",
"Ni",
"Ni",
"Ni",
"Ni",
"Ge",
"Ge",
"Ge",
"As"
] | 2023-11-16 06:57:59 | [
0.1,
0.3,
0.4,
0.2
] | [
[
-3.6150882,
0,
0
],
[
0,
-3.6150882,
0
],
[
0,
0,
-3.779987
]
] | -75.441758 | [
5.103,
5.103,
0.039,
0.031,
0.004,
0.004,
-0.022,
-0.026,
-0.026,
-0.03
] | [
[
0,
0,
0.00220296
],
[
0,
0,
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],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00010136
],
[
0,
0,
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[
0,
0,
0
],
[
0,
0,
-0.00168891
],
[
0,
0,
0.00168891
],
... | 10.561627 | 27.818544 | pbe | true | 68516ce4b05c2e217d6e39609caca868_115_Pu2Ni4Ge3As1 |
[
"As",
"Ge",
"Pb",
"Sc"
] | 5 | A2BCD | AsGePbSc2 | Sc2 Ge1 As1 Pb1 | 4 | [
1,
1,
1
] | 3 | [
[
5.46530349,
0,
0
],
[
0,
5.1398252,
0
],
[
0,
0,
5.46530349
]
] | agm001556231 | [
[
0,
0,
0
],
[
0,
0,
2.732651745
],
[
2.732651745,
0,
0
],
[
2.732651745,
2.5699126,
2.732651745
],
[
0,
2.5699126,
0
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Pb", "attached"... | [
"Pb",
"Sc",
"Sc",
"As",
"Ge"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
2.2290013,
0,
0
],
[
0,
2.7978225,
0
],
[
0,
0,
2.2290013
]
] | -22.350694 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000019 | 6.463757 | pbe | true | 37c148a4ff3b140634c4c50275020df4_123_Sc2Ge1As1Pb1 |
[
"As",
"Hf",
"Mo",
"Se"
] | 5 | A2BCD | As2HfMoSe | Hf1 Mo1 As2 Se1 | 4 | [
1,
1,
1
] | 3 | [
[
5.04105536,
0,
0
],
[
0,
5.04105536,
0
],
[
0,
0,
4.98250494
]
] | agm001677658 | [
[
2.52052768,
2.52052768,
2.49125247
],
[
0,
0,
0
],
[
0,
2.52052768,
0
],
[
2.52052768,
0,
0
],
[
0,
0,
2.49125247
]
] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Mo", "attached"... | [
"Mo",
"Hf",
"As",
"As",
"Se"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
39.16705,
0,
0
],
[
0,
39.16705,
0
],
[
0,
0,
39.680134
]
] | -30.160803 | [
3.493,
0.03,
-0.18,
-0.18,
-0.148
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.276704 | 3.323799 | pbe | true | c2889e142b3b148846f7dd1097588e47_123_Hf1Mo1As2Se1 |
[
"As",
"Hf",
"O",
"P"
] | 5 | A2BCD | AsHfOP2 | Hf1 As1 P2 O1 | 4 | [
1,
1,
1
] | 3 | [
[
5.14777381,
0,
0
],
[
0,
5.14777381,
0
],
[
0,
0,
3.88890339
]
] | agm001759751 | [
[
0,
2.573886905,
0
],
[
2.573886905,
0,
0
],
[
2.573886905,
2.573886905,
1.944451695
],
[
0,
0,
0
],
[
0,
0,
1.944451695
]
] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "O", "attached":... | [
"P",
"P",
"As",
"Hf",
"O"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
0.24519917,
0,
0
],
[
0,
0.24519917,
0
],
[
0,
0,
0.22445603
]
] | -32.156709 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000063 | 2.78451 | pbe | true | c64275bb43bcfaeb01f2dcba3aac061b_123_Hf1As1P2O1 |
[
"As",
"Hf",
"Tb",
"Zr"
] | 8 | A4B2CD | As4HfTb2Zr | Tb2 Hf1 Zr1 As4 | 4 | [
1,
1,
1
] | 3 | [
[
3.9657307,
0,
0
],
[
0,
6.87796705,
0.11502538
],
[
0,
-2.40838765,
6.51622859
]
] | agm004838244 | [
[
1.98286535,
-1.204193825,
3.258114295
],
[
0,
2.2347897,
3.3156269849999997
],
[
1.98286535,
3.438983525,
0.05751269
],
[
0,
0,
0
],
[
1.98286535,
1.1340596815881498,
1.5562509689484696
],
[
1.98286535,
3.33551971841185,
5... | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Zr", "attached"... | [
"Tb",
"Tb",
"Hf",
"Zr",
"As",
"As",
"As",
"As"
] | 2023-11-16 06:57:59 | [
0.5,
0.125,
0.25,
0.125
] | [
[
1.0981704,
0,
0
],
[
0,
1.0780884,
-0.00699687
],
[
0,
-0.00699688,
1.052222
]
] | -56.68616 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
-0.00208015,
-0.00581455
],
[
0,
0.00208015,
0.00581455
],
[
0,
-0.00121805,
0.00700659
],
[
0,
0.00121805,
-0.00700659
]
] | 0.000003 | 4.089527 | pbe | true | a1bf157cc001d7076a6ba7c9d4d41249_10_Tb2Hf1Zr1As4 |
[
"As",
"Hg",
"Ho",
"S"
] | 12 | A6B3C2D | As3HgHo6S2 | Ho6 Hg1 As3 S2 | 4 | [
1,
1,
1
] | 3 | [
[
4.03368856,
0,
0
],
[
0,
8.1871696,
0.42405999
],
[
-2.01684428,
-2.21986375,
8.50887723
]
] | agm004610390 | [
[
-2.0168442864806618e-8,
5.959771491206477,
5.942166494305995
],
[
2.016842242987277,
4.073037904637616,
3.0946746465643704
],
[
2.016844300168443,
0.0075343587935234975,
2.9907707256940057
],
[
0.000002016844279997735,
2.1685686519469654,
0.2118709343931... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Ho", "attached"... | [
"Ho",
"Ho",
"Ho",
"Ho",
"Ho",
"Ho",
"Hg",
"As",
"As",
"As",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.25,
0.08333333333333333,
0.5,
0.16666666666666666
] | [
[
0.5369804,
0,
0
],
[
0,
0.5353609,
0.03937773
],
[
0,
0.0393777,
0.4959648
]
] | -67.694186 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
-0.00205205,
-0.00172991
],
[
0,
-0.00248826,
0.00267763
],
[
0,
0.00205205,
0.00172991
],
[
0,
0.00258536,
-0.00123642
],
[
0,
-0.00258536,
0.00123642
],
[
0,
0.00248826,
-0.00267763
],
[
0,
0,
0
],
... | -0.000023 | 4.210832 | pbe | true | 3c8febc87603e18203a53587a4dbb913_12_Ho6Hg1As3S2 |
[
"As",
"Hg",
"Mn",
"Te"
] | 5 | A2BCD | As2HgMnTe | Mn1 Hg1 Te1 As2 | 4 | [
1,
1,
1
] | 3 | [
[
5.45613684,
0,
0
],
[
0,
4.75380011,
0
],
[
0,
0,
5.45613684
]
] | agm001521427 | [
[
0,
0,
2.72806842
],
[
2.72806842,
0,
0
],
[
0,
0,
0
],
[
2.72806842,
2.376900055,
2.72806842
],
[
0,
2.376900055,
0
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Te", "attached"... | [
"As",
"As",
"Te",
"Hg",
"Mn"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
2.5108829,
0,
0
],
[
0,
1.490322,
0
],
[
0,
0,
2.5108829
]
] | -15.701824 | [
-0.058,
-0.102,
-0.01,
-0.004,
0.177
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.162321 | 8.195461 | pbe | true | 0968a2312e7233018ab5f9d265f92f41_123_Mn1Hg1Te1As2 |
[
"As",
"Hg",
"Pb",
"Tl"
] | 5 | A2BCD | AsHgPbTl2 | Tl2 Hg1 As1 Pb1 | 4 | [
1,
1,
1
] | 3 | [
[
4.63451296,
-4e-8,
1e-8
],
[
1.3e-7,
4.8095955,
0.64403221
],
[
1.1e-7,
1.0957382,
7.16868343
]
] | agm004989408 | [
[
4.634513080012187,
3.3749407226367327,
7.015441600442821
],
[
2.3172565357798938,
1.0559397779827784,
6.569396561129405
],
[
2.3172561274765964,
2.9547116064407644,
3.109297798101667
],
[
5.533584997e-7,
4.358969135354782,
2.193881183375291
],
[
... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Pb", "attached"... | [
"Tl",
"Tl",
"Hg",
"As",
"Pb"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
3.597349,
6e-8,
5e-8
],
[
6e-8,
3.5688531,
-0.10245612
],
[
5e-8,
-0.10245612,
3.9391816
]
] | -12.995394 | [
0,
0,
0,
0,
0
] | [
[
0,
-0.00483573,
0.00201839
],
[
0,
0.00317902,
0.00499694
],
[
0,
-0.00064227,
-0.0001859
],
[
0,
-0.00163882,
-0.00165948
],
[
0,
0.00393781,
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]
] | 0 | 2.072358 | pbe | true | 924d4e022a0e8c3cd726e8b83f2165c1_6_Tl2Hg1As1Pb1 |
[
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1,
1,
1
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2.9408... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Ho", "attached": ... | [
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... | 0.835816 | 4.441687 | pbe | true | e003c7f133cd374d2ecc2a44897c73f3_74_Li2Ho2As2O8 |
[
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1,
1,
1
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[
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"Ho",
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"Pa",
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0.00158978... | 0.000428 | 7.308047 | pbe | true | e13306ae932739402985ac8fde7493f0_12_Ho3Th2Pa1As6 |
[
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1,
1,
1
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... | 0.000001 | 11.54799 | pbe | true | 58cd13f0535cafe011db15a630faa1f5_166_Pm8As1Pt3I4 |
[
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1,
1,
1
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3... | [{"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": "Pd", "attached"... | [
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0.001748... | 0 | 4.800754 | pbe | true | 86a9db54b9d07c46f8386611953b667d_12_Pm1In2As2Pd7 |
[
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"Ni",
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1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
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[
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2.525371955... | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ni", "attached": ... | [
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... | -0.000154 | 8.738666 | pbe | true | 643ed08742d75491693ef04c4a9d6e51_72_K4Ni2As4Pd2 |
[
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1,
1,
1
] | 3 | [
[
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[
... | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "K", "attached":... | [
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-0.0... | 0.000001 | 3.464653 | pbe | true | 2f47111388b4183859af3b4466ce734f_74_K2As2Pb4Se8 |
[
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1,
1,
1
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[
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... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Se", "attached": ... | [
"La",
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] | 0.000001 | 4.513096 | pbe | true | 445f576146c38f80c3d21ea2614ba575_10_La4As1Se2O1 |
[
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] | 16 | A8B4C3D | As3La8PSe4 | La8 As3 P1 Se4 | 4 | [
1,
1,
1
] | 3 | [
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[
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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": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "P", "attached":... | [
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] | 2023-11-16 06:57:59 | [
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... | -0.000001 | 7.193712 | pbe | true | b064df58536f43a31eeae96977277927_166_La8As3P1Se4 |
[
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] | 4 | ABCD | AsLaSTm | La1 Tm1 As1 S1 | 4 | [
1,
1,
1
] | 3 | [
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] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Tm", "attached": ... | [
"La",
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[
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-0.07397718,
-0.00847509
],
[
0.01207983,
-0.00847493,
-0.06463254
]
] | -25.032587 | [
0.169,
0.049,
-0.005,
-0.005
] | [
[
0.00058049,
-0.00187537,
-0.00086121
],
[
-0.00072277,
0.00187975,
0.00164194
],
[
0.00018881,
0.00012362,
-0.00032928
],
[
-0.00004653,
-0.00012799,
-0.00045145
]
] | 0.495108 | 1.96145 | pbe | true | 552d6c2037f5ecb70c0e43ace4300040_160_La1Tm1As1S1 |
[
"As",
"Li",
"Pd",
"Pt"
] | 4 | ABCD | AsLiPdPt | Li1 As1 Pd1 Pt1 | 4 | [
1,
1,
1
] | 3 | [
[
4.35794256,
0,
0
],
[
2.17897128,
3.77408897,
0
],
[
2.17897128,
1.25802966,
3.5582452
]
] | agm001301096 | [
[
6.5369138399999995,
3.7740889725,
2.6686839
],
[
0,
0,
0
],
[
4.35794256,
2.516059315,
1.7791226
],
[
2.17897128,
1.2580296575,
0.8895613
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Pd", "attached"... | [
"As",
"Pd",
"Pt",
"Li"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
4.9956355,
0,
0
],
[
0,
4.9956355,
0
],
[
0,
0,
4.9956355
]
] | -19.638827 | [
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000004 | 3.927863 | pbe | true | b70ef86a6dbfddcad3ac3b5e41429e55_216_Li1As1Pd1Pt1 |
[
"As",
"Li",
"Rh",
"Tb"
] | 10 | A4B3C2D | As3LiRh4Tb2 | Li1 Tb2 As3 Rh4 | 4 | [
1,
1,
1
] | 3 | [
[
4.09297393,
0,
0
],
[
0,
4.09297393,
0
],
[
0,
0,
10.3996034
]
] | agm004536356 | [
[
2.046486965,
2.046486965,
5.1998017
],
[
2.046486965,
0,
2.629288985252026
],
[
0,
2.046486965,
7.770314414747975
],
[
0,
0,
5.1998017
],
[
2.046486965,
0,
8.955473809426707
],
[
0,
2.046486965,
1.444129590573294
],
[
... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Rh", "attached"... | [
"Li",
"Tb",
"Tb",
"As",
"As",
"As",
"Rh",
"Rh",
"Rh",
"Rh"
] | 2023-11-16 06:57:59 | [
0.3,
0.1,
0.4,
0.2
] | [
[
5.348122,
0,
0
],
[
0,
5.348122,
0
],
[
0,
0,
5.6784024
]
] | -63.533106 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0.00746531
],
[
0,
0,
-0.00746531
],
[
0,
0,
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],
[
0,
0,
0.00495869
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[
0,
0,
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.0047496
],
[
0,... | -0.000001 | 2.549987 | pbe | true | 88bd21958606d89951299a7ef97bf44c_115_Li1Tb2As3Rh4 |
[
"As",
"Li",
"Se",
"Y"
] | 5 | A2BCD | As2LiSeY | Li1 Y1 As2 Se1 | 4 | [
1,
1,
1
] | 3 | [
[
5.45664156,
0,
0
],
[
0,
5.45664156,
0
],
[
0,
0,
5.4914746
]
] | agm001677457 | [
[
0,
0,
0
],
[
0,
2.72832078,
0
],
[
2.72832078,
0,
0
],
[
0,
0,
2.7457373
],
[
2.72832078,
2.72832078,
2.7457373
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Li", "attached"... | [
"Y",
"As",
"As",
"Se",
"Li"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
0.32458875,
0,
0
],
[
0,
0.32458875,
0
],
[
0,
0,
0.08258611
]
] | -21.733564 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000088 | 5.172397 | pbe | true | 2277926dfb76dda98d18cc157d96411d_123_Li1Y1As2Se1 |
[
"As",
"Mg",
"N",
"V"
] | 5 | A2BCD | AsMg2NV | Mg2 V1 As1 N1 | 4 | [
1,
1,
1
] | 3 | [
[
5.3376542,
0,
0
],
[
0,
3.6039348,
0
],
[
0,
0,
5.3376542
]
] | agm001488258 | [
[
2.6688271,
1.8019674,
2.6688271
],
[
0,
1.8019674,
0
],
[
0,
0,
2.6688271
],
[
2.6688271,
0,
0
],
[
0,
0,
0
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "V", "attached":... | [
"As",
"N",
"Mg",
"Mg",
"V"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
1.6974046,
0,
0
],
[
0,
-1.7614305,
0
],
[
0,
0,
1.6974046
]
] | -23.06072 | [
0.009,
-0.02,
-0.001,
-0.003,
0.275
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.290388 | 3.524277 | pbe | true | 7c46d0d349aadeb3a7fd6077e43270d8_123_Mg2V1As1N1 |
[
"As",
"Mg",
"Sb",
"Se"
] | 5 | A2BCD | As2MgSbSe | Mg1 Sb1 As2 Se1 | 4 | [
1,
1,
1
] | 3 | [
[
4.99393081,
0,
0
],
[
0,
4.99393081,
0
],
[
0,
0,
5.01961047
]
] | agm001677537 | [
[
2.496965405,
2.496965405,
2.509805235
],
[
0,
2.496965405,
0
],
[
2.496965405,
0,
0
],
[
0,
0,
0
],
[
0,
0,
2.509805235
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Sb", "attached"... | [
"Sb",
"As",
"As",
"Mg",
"Se"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
-0.04818179,
0,
0
],
[
0,
-0.04818179,
0
],
[
0,
0,
-0.01886869
]
] | -16.078778 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 5.189508 | pbe | true | 321be5c1c50d4be0607000d73656509e_123_Mg1Sb1As2Se1 |
[
"As",
"Mg",
"Pm",
"Rh"
] | 10 | A4B3C2D | As4MgPm2Rh3 | Pm2 Mg1 As4 Rh3 | 4 | [
1,
1,
1
] | 3 | [
[
4.26792947,
0,
0
],
[
0,
4.26792947,
0
],
[
0,
0,
10.51177991
]
] | agm004537744 | [
[
2.133964735,
0,
2.48598338981545
],
[
0,
2.133964735,
8.02579652018455
],
[
2.133964735,
2.133964735,
5.255889955
],
[
2.133964735,
2.133964735,
0
],
[
0,
0,
0
],
[
2.133964735,
0,
6.809831347250029
],
[
0,
2.1... | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Mg", "attached"... | [
"Pm",
"Pm",
"Mg",
"As",
"As",
"As",
"As",
"Rh",
"Rh",
"Rh"
] | 2023-11-16 06:57:59 | [
0.4,
0.1,
0.2,
0.3
] | [
[
4.244914,
0,
0
],
[
0,
4.244914,
0
],
[
0,
0,
4.376007
]
] | -60.631729 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
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[
0,
0,
0.00071746
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00081584
],
[
0,
0,
0.00081584
],
[
0,
0,
0
],
[
0,
0,
-0.01167429
],
[
0... | 0.000006 | 4.063804 | pbe | true | 9ac288439245a52ffe41ecf05e0f0483_115_Pm2Mg1As4Rh3 |
[
"As",
"Mn",
"N",
"Sn"
] | 5 | A2BCD | AsMn2NSn | Mn2 Sn1 As1 N1 | 4 | [
1,
1,
1
] | 3 | [
[
3.97955751,
0,
0
],
[
0,
5.0740025,
0
],
[
0,
0,
3.97955751
]
] | agm001600827 | [
[
1.989778755,
2.53700125,
1.989778755
],
[
0,
0,
1.989778755
],
[
1.989778755,
0,
0
],
[
0,
2.53700125,
0
],
[
0,
0,
0
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Mn", "attached"... | [
"As",
"Mn",
"Mn",
"Sn",
"N"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
21.55692,
0,
0
],
[
0,
22.7579,
0
],
[
0,
0,
21.55692
]
] | -34.046412 | [
0.025,
3.424,
3.272,
-0.024,
-0.023
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 7.076313 | 5.883534 | pbe | true | 1926af1761b9002ec847d91fa0456634_123_Mn2Sn1As1N1 |
[
"As",
"N",
"P",
"Te"
] | 5 | A2BCD | AsNPTe2 | Te2 As1 P1 N1 | 4 | [
1,
1,
1
] | 3 | [
[
5.50532908,
0,
0
],
[
0,
5.50532908,
0
],
[
0,
0,
3.65136273
]
] | agm001804085 | [
[
2.75266454,
2.75266454,
1.825681365
],
[
0,
0,
0
],
[
0,
2.75266454,
0
],
[
2.75266454,
0,
0
],
[
0,
0,
1.825681365
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "N", "attached":... | [
"P",
"As",
"Te",
"Te",
"N"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
0.2959312,
0,
0
],
[
0,
0.2959312,
0
],
[
0,
0,
0.08087757
]
] | -19.245974 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000548 | 4.933011 | pbe | true | 7c439130e8d22fcd3e974c83949cc8ca_123_Te2As1P1N1 |
[
"As",
"N",
"Te",
"Zn"
] | 5 | A2BCD | AsNTe2Zn | Zn1 Te2 As1 N1 | 4 | [
1,
1,
1
] | 3 | [
[
4.85191237,
0,
0
],
[
0,
4.85191237,
0
],
[
0,
0,
4.33942357
]
] | agm001421189 | [
[
0,
0,
2.169711785
],
[
0,
2.425956185,
0
],
[
2.425956185,
0,
0
],
[
2.425956185,
2.425956185,
2.169711785
],
[
0,
0,
0
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Zn", "attached"... | [
"As",
"Te",
"Te",
"Zn",
"N"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
0.32194144,
0,
0
],
[
0,
0.32194144,
0
],
[
0,
0,
0.01563671
]
] | -16.619496 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 4.172247 | pbe | true | 6d2102f435f2e7e51fba9d79da3b7372_123_Zn1Te2As1N1 |
[
"As",
"Na",
"Np",
"O"
] | 16 | A5BCD | AsNaNpO5 | Na2 Np2 As2 O10 | 4 | [
1,
1,
1
] | 3 | [
[
6.11252096,
0.56511847,
-0.2159058
],
[
-1.24382391,
6.0112539,
-0.2159058
],
[
-2.30561547,
-3.11430055,
7.57376609
]
] | agm005065837 | [
[
0.4920455398240734,
3.520829486825372,
1.6775357225
],
[
2.0710360401759274,
-0.058757666825371646,
5.464418767500001
],
[
-1.152807735,
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3.786883045
],
[
0,
0,
0
],
[
3.060026066900385,
1.619672053451755,
1.6775357225
],
... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Na", "attached": ... | [
"Na",
"Na",
"Np",
"Np",
"As",
"As",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.125,
0.125,
0.125,
0.625
] | [
[
1.1078378,
0.03499486,
-0.04771777
],
[
0.03499486,
1.1291991,
-0.06445457
],
[
-0.04771783,
-0.06445467,
0.82501525
]
] | -120.732176 | [
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0,
1.187,
1.187,
-0.005,
-0.005,
-0.058,
-0.058,
-0.047,
-0.047,
-0.047,
-0.047,
-0.018,
-0.018,
-0.018,
-0.018
] | [
[
0.00266951,
-0.00197633,
0
],
[
-0.00266951,
0.00197633,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00047911,
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0
],
[
-0.00047911,
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0
],
[
0.0007099,
-0.00052556,
0
],
[
-0.0007099,
... | 2.000016 | 2.880523 | pbe | true | 0c68ffc7e4cf643bc4385e1ff9fb002d_15_Na2Np2As2O10 |
[
"As",
"Nb",
"Se",
"Te"
] | 5 | A2BCD | AsNbSe2Te | Nb1 Te1 As1 Se2 | 4 | [
1,
1,
1
] | 3 | [
[
4.92999052,
0,
0
],
[
0,
4.92999052,
0
],
[
0,
0,
5.33953107
]
] | agm001788685 | [
[
0,
0,
0
],
[
2.46499526,
2.46499526,
2.669765535
],
[
0,
0,
2.669765535
],
[
0,
2.46499526,
0
],
[
2.46499526,
0,
0
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] | 0 | 4.632832 | pbe | true | db21ea9fb38d1ba9d905cd7d48c67120_123_Nb1Te1As1Se2 |
[
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1,
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] | agm004610221 | [
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... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Nd", "attached": ... | [
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... | 0.000001 | 1.92579 | pbe | true | 1128e37f0d49658422ae12053fab0bc1_12_Nd6As2P3S1 |
[
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1,
1
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2.... | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Pu", "attached"... | [
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... | 5.54828 | 14.943455 | pbe | true | 784f67892759503c7a2090bad7a54489_115_Nd2Pu1As4Pt3 |
[
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1,
1,
1
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0.00159211... | 1.014512 | 1.564755 | pbe | true | a5636a0c6155047119420032dbeaab4e_12_Rb2Np1As2O6 |
[
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1,
1,
1
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[
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... | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Np", "attached": ... | [
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[
0.0... | 9.316692 | 49.098427 | pbe | true | 34c87f5fee4f1d45d53d718df3d60b68_12_Pu1Np2U3As6 |
[
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1,
1,
1
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[
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] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Se", "attached": ... | [
"P",
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] | -0.000002 | 2.863903 | pbe | true | 0461b4f232a789d3db3ff9bd2e618b25_123_As1P2Se1O1 |
[
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] | 20 | A6B2CD | As2O6PbPd | As4 Pd2 Pb2 O12 | 4 | [
1,
1,
1
] | 3 | [
[
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[
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[
... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Pb", "attached": ... | [
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-0.00031632... | 0 | 0.439178 | pbe | true | 6434927d7c89875b733f1a5a6532abee_15_As4Pd2Pb2O12 |
[
"As",
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1,
1,
1
] | 3 | [
[
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0,
0
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[
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[
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2.3... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Rb", "attached": ... | [
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[
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-0.00... | 1.024882 | 1.718315 | pbe | true | 1d59716c80fafd2b394f332f45fd34e5_166_Rb1Tl2As2O6 |
[
"As",
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"Rh",
"Sm"
] | 8 | ABCD | AsORhSm | Sm2 As2 Rh2 O2 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
4.08213613,
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[
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] | agm002366822 | [
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[
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[
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... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Rh", "attached": ... | [
"As",
"As",
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[
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] | -0.000015 | 4.713543 | pbe | true | 36ce386fb25ce7b6c9f95be9ed6b2c67_129_Sm2As2Rh2O2 |
[
"As",
"P",
"Pb",
"Tm"
] | 8 | A4B2CD | AsPPb2Tm4 | Tm4 As1 P1 Pb2 | 4 | [
1,
1,
1
] | 3 | [
[
3.9342022,
0,
0
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[
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6.77341186,
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[
0,
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] | agm004838034 | [
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[
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... | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Tm", "attached"... | [
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"As",
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"Pb",
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] | 2023-11-16 06:57:59 | [
0.125,
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0.5
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[
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] | -43.238108 | [
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] | -0 | 2.419578 | pbe | true | 3b9e99e9fa578e50a18572eaa4cb5e9e_10_Tm4As1P1Pb2 |
[
"As",
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"W",
"Y"
] | 5 | A2BCD | As2SeWY | Y1 As2 W1 Se1 | 4 | [
1,
1,
1
] | 3 | [
[
5.34289679,
0,
0
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[
0,
5.34289679,
0
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[
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"Y",
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] | 2023-11-16 06:57:59 | [
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] | 3.292016 | 5.189841 | pbe | true | 06214c2625637384a38fa5d6974425b6_123_Y1As2W1Se1 |
[
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] | 4 | ABCD | AuBaCuLa | Ba1 La1 Cu1 Au1 | 4 | [
1,
1,
1
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5.45133633,
0,
0
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[
2.72566817,
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0
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2.72566817,
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] | agm001342589 | [
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] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Cu", "attached"... | [
"Au",
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"Cu",
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] | 2023-11-16 06:57:59 | [
0.25,
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[
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] | -15.393463 | [
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[
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[
0,
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] | -0.000159 | 4.043533 | pbe | true | 6abc0c289467dfccd95b55c816c7579e_216_Ba1La1Cu1Au1 |
[
"Au",
"Ba",
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] | 18 | A5B2CD | AuBa2HoO5 | Ba4 Ho2 Au2 O10 | 4 | [
1,
1,
1
] | 3 | [
[
3.6246714,
0,
0
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[
-1.8123357,
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0
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[
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12.0958283
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... | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ho", "attached": ... | [
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] | 2023-11-16 06:57:59 | [
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... | 0 | -0.304072 | pbe | true | a0d18f37a11e5b0b1308373f7b1956db_36_Ba4Ho2Au2O10 |
[
"Au",
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"I",
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] | 5 | A2BCD | AuBaI2O | Ba1 Au1 I2 O1 | 4 | [
1,
1,
1
] | 3 | [
[
5.97113205,
0,
0
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[
0,
5.97113205,
0
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[
0,
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] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "I", "attached": n... | [
"I",
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] | 2023-11-16 06:57:59 | [
0.2,
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[
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[
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] | -16.74329 | [
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[
0,
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[
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] | -0.000003 | 4.892051 | pbe | true | f9ea0a257dcd77d1aa526706b7a53296_123_Ba1Au1I2O1 |
[
"Au",
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] | 10 | A4B3C2D | Au3Ba2Pb4Sn | Ba2 Sn1 Pb4 Au3 | 4 | [
1,
1,
1
] | 3 | [
[
5.04185048,
0,
0
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[
0,
5.04185048,
0
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12.00394503
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] | agm004527078 | [
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[
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2.52092... | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Pb", "attached"... | [
"Ba",
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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... | 0 | 4.833857 | pbe | true | 80a84a1b0601dbe55e6ea9bcd5ec1e62_115_Ba2Sn1Pb4Au3 |
[
"Au",
"Ba",
"Sc",
"Te"
] | 11 | A6B2C2D | Au2Ba2ScTe6 | Ba2 Sc1 Te6 Au2 | 4 | [
1,
1,
1
] | 3 | [
[
6.63820662,
0,
0
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[
-3.31910331,
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[
0,
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] | agm004578586 | [
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[
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"Ba",
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"Te",
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] | 2023-11-16 06:57:59 | [
0.18181818181818182,
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0.09090909090909091,
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[
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[
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0.0006... | 0 | 5.744942 | pbe | true | 9c9cccfda05d5238e1978e0d488c15fa_12_Ba2Sc1Te6Au2 |
[
"Au",
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"Cu",
"Pm"
] | 18 | A6BCD | Au6BeCuPm | Pm2 Be2 Cu2 Au12 | 4 | [
1,
1,
1
] | 3 | [
[
7.10533594,
0,
0
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[
0,
8.79417785,
0
],
[
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] | agm005073303 | [
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[
-1.776333985,... | [{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Pm", "attached"... | [
"Pm",
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"Au",
"Au",
"Au",
"Au",
"Au",
"Au",
"Au",
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] | 2023-11-16 06:57:59 | [
0.6666666666666666,
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[
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[
0,
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] | -68.207232 | [
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[
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0.00173521... | -0.000001 | 7.100164 | pbe | true | d7131afce5fa4d5e062072f4a0c253cc_74_Pm2Be2Cu2Au12 |
[
"Au",
"Be",
"Ge",
"Pm"
] | 10 | A4B3C2D | AuBe3Ge4Pm2 | Pm2 Be3 Ge4 Au1 | 4 | [
1,
1,
1
] | 3 | [
[
4.17897013,
0,
0
],
[
0,
4.17897013,
0
],
[
0,
0,
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] | agm004511594 | [
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2.4030135804456303
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[
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[
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[
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[
... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Pm", "attached"... | [
"Pm",
"Pm",
"Be",
"Be",
"Be",
"Ge",
"Ge",
"Ge",
"Ge",
"Au"
] | 2023-11-16 06:57:59 | [
0.1,
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0.4,
0.2
] | [
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[
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1.9683735,
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[
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] | -46.391999 | [
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[
0,
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[
0,
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... | -0.000001 | 1.874836 | pbe | true | b9b040a4c7b0412d6035b6e4e92eafb6_115_Pm2Be3Ge4Au1 |
[
"Au",
"Be",
"Ir",
"Zn"
] | 8 | ABCD | AuBeIrZn | Be2 Zn2 Ir2 Au2 | 4 | [
1,
1,
1
] | 3 | [
[
8.08296826,
0,
0.04569371
],
[
0,
2.85910739,
0
],
[
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0,
4.82778744
]
] | agm002041090 | [
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3.9893256917666378,
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0.7498908513889423
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[
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[
2.0550070875428044,
0,
2.0351820314... | [{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Zn", "attached"... | [
"Be",
"Be",
"Zn",
"Zn",
"Ir",
"Ir",
"Au",
"Au"
] | 2023-11-16 06:57:59 | [
0.25,
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0.25,
0.25
] | [
[
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[
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0
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[
0.08578839,
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] | -35.799541 | [
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[
0.00367882,
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[
0.00379966,
0,
-... | 0.000001 | 3.098033 | pbe | true | dbcdc4ac3353985a4ccd6ae8ffebe4cb_8_Be2Zn2Ir2Au2 |
[
"Au",
"Bi",
"Ga",
"Sm"
] | 4 | ABCD | AuBiGaSm | Sm1 Ga1 Bi1 Au1 | 4 | [
1,
1,
1
] | 3 | [
[
5.19219993,
0,
0
],
[
2.59609997,
4.49657704,
0
],
[
2.59609997,
1.49885901,
4.23941349
]
] | agm001360768 | [
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[
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[
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2.119706745
],
[
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0,
0
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] | [{"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Au", "attached"... | [
"Ga",
"Au",
"Bi",
"Sm"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
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0
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[
0,
2.314459,
0
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[
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2.314459
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] | -16.565813 | [
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[
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[
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[
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] | -0.000004 | 1.498665 | pbe | true | 687d3b8f3f3c66ed1d48b9471a9bd4c5_216_Sm1Ga1Bi1Au1 |
[
"Au",
"Bi",
"K",
"Na"
] | 5 | A2BCD | AuBiKNa2 | K1 Na2 Bi1 Au1 | 4 | [
1,
1,
1
] | 3 | [
[
5.69101187,
0,
0
],
[
0,
5.69101187,
0
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[
0,
0,
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] | agm001656317 | [
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] | [{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Na", "attached": ... | [
"Na",
"Na",
"K",
"Au",
"Bi"
] | 2023-11-16 06:57:59 | [
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[
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] | -11.912282 | [
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] | 0.000012 | 2.260041 | pbe | true | 87b16edf164679ed590cc3bfc09fd3e8_123_K1Na2Bi1Au1 |
[
"Au",
"Bi",
"Mo",
"Pt"
] | 5 | A2BCD | AuBi2MoPt | Bi2 Mo1 Pt1 Au1 | 4 | [
1,
1,
1
] | 3 | [
[
5.27605988,
0,
0
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[
0,
5.00794341,
0
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[
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] | agm001503298 | [
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] | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Pt", "attached"... | [
"Mo",
"Au",
"Bi",
"Bi",
"Pt"
] | 2023-11-16 06:57:59 | [
0.2,
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] | -22.575295 | [
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] | 0.000001 | 5.331675 | pbe | true | 603be6e46edccf75c1b724b8ca60fb91_123_Bi2Mo1Pt1Au1 |
[
"Au",
"Br",
"Co",
"La"
] | 12 | A6B3C2D | Au2Br3CoLa6 | La6 Co1 Au2 Br3 | 4 | [
1,
1,
1
] | 3 | [
[
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[
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[
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] | agm004627220 | [
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[
... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Br", "attached"... | [
"La",
"La",
"La",
"La",
"La",
"La",
"Co",
"Au",
"Au",
"Br",
"Br",
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] | 2023-11-16 06:57:59 | [
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[
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-0.001010... | -0.00002 | 10.329911 | pbe | true | 885ba07d3199b967e8106ff16bc7d142_12_La6Co1Au2Br3 |
[
"Au",
"C",
"Cd",
"Cu"
] | 5 | A2BCD | AuCCdCu2 | Cd1 Cu2 Au1 C1 | 4 | [
1,
1,
1
] | 3 | [
[
4.0254763,
0,
0
],
[
0,
4.38741907,
0
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[
0,
0,
4.0254763
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] | agm001560933 | [
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[
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "C", "attached":... | [
"C",
"Au",
"Cu",
"Cu",
"Cd"
] | 2023-11-16 06:57:59 | [
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0.4
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[
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[
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[
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[
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] | 0 | 1.17436 | pbe | true | 8dd2b0cc21aa9cbe3210d391afa3e1fb_123_Cd1Cu2Au1C1 |
[
"Au",
"Ca",
"Cd",
"Pb"
] | 4 | ABCD | AuCaCdPb | Ca1 Cd1 Pb1 Au1 | 4 | [
1,
1,
1
] | 3 | [
[
5.16602579,
0,
0
],
[
2.5830129,
4.47390957,
0
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[
2.5830129,
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4.2180424
]
] | agm001326576 | [
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[
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Ca", "attached"... | [
"Pb",
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] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
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[
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[
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] | -11.296088 | [
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[
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[
0,
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[
0,
0,
0
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] | -0.000001 | 2.640007 | pbe | true | 9001a413459448ae74ed95c96a7ea90b_216_Ca1Cd1Pb1Au1 |
[
"Au",
"Ca",
"Cd",
"Mo"
] | 5 | A2BCD | AuCa2CdMo | Ca2 Cd1 Mo1 Au1 | 4 | [
1,
1,
1
] | 3 | [
[
5.6319603,
0,
0
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[
0,
4.9806899,
0
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[
0,
0,
5.6319603
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] | agm001476177 | [
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[
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[
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[
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Ca", "attached"... | [
"Mo",
"Au",
"Ca",
"Ca",
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] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
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[
0,
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[
0,
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] | -15.785108 | [
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[
0,
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[
0,
0,
0
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[
0,
0,
0
]
] | 1.257692 | 4.377255 | pbe | true | 0fdae2e8c4ec73017523b954a7f74475_123_Ca2Cd1Mo1Au1 |
[
"Au",
"Ca",
"H",
"Pd"
] | 9 | A3B3C2D | Au2Ca3HPd3 | Ca3 H1 Pd3 Au2 | 4 | [
1,
1,
1
] | 3 | [
[
4.14873375,
0,
0
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[
0,
7.00334264,
0
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[
0,
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6.06507264
]
] | agm004505835 | [
[
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[
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[
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[
2.074366875,
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1.37898681771... | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Pd", "attached": ... | [
"Ca",
"Ca",
"Ca",
"H",
"Pd",
"Pd",
"Pd",
"Au",
"Au"
] | 2023-11-16 06:57:59 | [
0.2222222222222222,
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[
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[
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] | -36.409721 | [
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[
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[
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[
0,
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[
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0,
... | -0 | 2.398798 | pbe | true | 5350bde81278470981cad6ca96e7e22c_189_Ca3H1Pd3Au2 |
[
"Au",
"Ca",
"Li",
"Sm"
] | 8 | A4B2CD | Au4CaLi2Sm | Li2 Ca1 Sm1 Au4 | 4 | [
1,
1,
1
] | 3 | [
[
4.60148551,
0,
0
],
[
2.30074276,
3.98500335,
0
],
[
2.30074275,
1.32833445,
9.33582261
]
] | agm004803439 | [
[
6.902228242018668,
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[
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[
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[
0,
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[
4.601485530803569,
2.6566689132833448,
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]... | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Sm", "attached"... | [
"Li",
"Li",
"Ca",
"Sm",
"Au",
"Au",
"Au",
"Au"
] | 2023-11-16 06:57:59 | [
0.5,
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0.125
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[
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[
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] | -29.082802 | [
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[
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[
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[
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[
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[
0,
0,
0.00543671
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[
0,
0,
-0.00455229
]
] | -0.000005 | 4.750417 | pbe | true | b0b4e8fe5398b1d63d5217a043f217d8_166_Li2Ca1Sm1Au4 |
[
"Au",
"Cd",
"Ge",
"Y"
] | 4 | ABCD | AuCdGeY | Y1 Cd1 Ge1 Au1 | 4 | [
1,
1,
1
] | 3 | [
[
4.95500604,
0,
0
],
[
2.47750302,
4.29116111,
0
],
[
2.47750302,
1.43038704,
4.04574549
]
] | agm001284959 | [
[
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[
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[
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[
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Au", "attached"... | [
"Y",
"Ge",
"Au",
"Cd"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
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0,
0
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[
0,
4.724794,
0
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[
0,
0,
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]
] | -17.2442 | [
0,
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[
0,
0,
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[
0,
0,
0
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[
0,
0,
0
]
] | -0 | 1.080885 | pbe | true | ff90e1f72f9710625c2338f3cba7680e_216_Y1Cd1Ge1Au1 |
[
"Au",
"Cd",
"Ho",
"Sm"
] | 4 | ABCD | AuCdHoSm | Sm1 Ho1 Cd1 Au1 | 4 | [
1,
1,
1
] | 3 | [
[
3.6939072,
0,
0
],
[
0,
3.6939072,
0
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[
0,
0,
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]
] | agm005183468 | [
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[
0,
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6.430466322369137
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[
0,
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2.5203223131508357
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Sm", "attached"... | [
"Sm",
"Ho",
"Cd",
"Au"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
2.8808246,
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0
],
[
0,
2.8808246,
0
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[
0,
0,
3.031647
]
] | -15.787995 | [
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] | [
[
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[
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[
0,
0,
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[
0,
0,
0.00283846
]
] | 0.000248 | 3.682787 | pbe | true | 28ed5d9d487a5291d3844538c74cbada_99_Sm1Ho1Cd1Au1 |
[
"Au",
"Cd",
"Pt",
"Rb"
] | 20 | A6B2CD | AuCd6PtRb2 | Rb4 Cd12 Pt2 Au2 | 4 | [
1,
1,
1
] | 3 | [
[
7.6677059,
0,
0
],
[
0,
7.60282069,
0
],
[
0,
0,
10.70943818
]
] | agm004937064 | [
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[
0,
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[
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1.923290871923783,
2.6524153357799074
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[
3.83385295,
1.8550760078186892,
2.7047... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Pt", "attached"... | [
"Rb",
"Rb",
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"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Pt",
"Pt",
"Au",
"Au"
] | 2023-11-16 06:57:59 | [
0.1,
0.6,
0.1,
0.2
] | [
[
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[
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4.0818763,
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[
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] | -37.285859 | [
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[
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0.00168904,
... | 0 | 7.255118 | pbe | true | 49e83d1901474d0a8ed54ad9c0fd0709_59_Rb4Cd12Pt2Au2 |
[
"Au",
"Cd",
"Sc",
"Tb"
] | 8 | A4B2CD | Au4CdScTb2 | Tb2 Sc1 Cd1 Au4 | 4 | [
1,
1,
1
] | 3 | [
[
4.93637393,
0,
0
],
[
2.46818696,
4.27502522,
0
],
[
2.46818696,
1.42500841,
8.24085541
]
] | agm004795087 | [
[
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[
2.4681869872389735,
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[
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[
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2.850016801931475,
7.04154468580670... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Sc", "attached"... | [
"Tb",
"Tb",
"Sc",
"Cd",
"Au",
"Au",
"Au",
"Au"
] | 2023-11-16 06:57:59 | [
0.5,
0.125,
0.125,
0.25
] | [
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[
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4.4768944,
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[
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] | -35.792843 | [
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[
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[
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[
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[
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[
0,
0,
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[
0,
0,
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]
] | -0.000011 | 4.782351 | pbe | true | c9f978a200dffcb254698cf0b4e50b8e_166_Tb2Sc1Cd1Au4 |
[
"Au",
"Ce",
"Ga",
"Ho"
] | 9 | A5B2CD | Au5CeGa2Ho | Ce1 Ho1 Ga2 Au5 | 4 | [
1,
1,
1
] | 3 | [
[
4.7301701,
0,
0
],
[
0,
4.7301701,
0
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[
0,
0,
8.53044736
]
] | agm005171454 | [
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[
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[
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[
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[
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],
[
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... | [{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Au", "attached"... | [
"Ce",
"Ho",
"Ga",
"Ga",
"Au",
"Au",
"Au",
"Au",
"Au"
] | 2023-11-16 06:57:59 | [
0.5555555555555556,
0.1111111111111111,
0.2222222222222222,
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] | [
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[
0,
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[
0,
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] | -37.125549 | [
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-0.001,
0.007,
0.007,
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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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0.00524287
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[
0,
0,
0
]
] | 1.090384 | 10.910782 | pbe | true | 1f6b08a630cc4a8f2dbe57548bd0d3e7_123_Ce1Ho1Ga2Au5 |
[
"Au",
"Ce",
"Ga",
"Pt"
] | 12 | A3BCD | AuCeGa3Pt | Ce2 Ga6 Pt2 Au2 | 4 | [
1,
1,
1
] | 3 | [
[
5.83419201,
0,
0
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[
0,
6.51480522,
0
],
[
0,
-3.25740261,
7.48715687
]
] | agm005043150 | [
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[
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[
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[
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4.6909284... | [{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Pt", "attached"... | [
"Ce",
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"Ga",
"Ga",
"Ga",
"Ga",
"Ga",
"Ga",
"Pt",
"Pt",
"Au",
"Au"
] | 2023-11-16 06:57:59 | [
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0.5,
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[
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[
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] | -53.401486 | [
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0.001,
0.001,
0.001,
0.001,
0.058,
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[
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[
0,
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[
0,
0,
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[
0,... | 2.53959 | 15.677688 | pbe | true | c61367b1208db79ba48a04766384fdd6_63_Ce2Ga6Pt2Au2 |
[
"Au",
"Co",
"Ga",
"Li"
] | 4 | ABCD | AuCoGaLi | Li1 Ga1 Co1 Au1 | 4 | [
1,
1,
1
] | 3 | [
[
4.31510047,
0,
0
],
[
2.15755023,
3.73698662,
0
],
[
2.15755023,
1.24566221,
3.52326478
]
] | agm002342302 | [
[
4.315100465,
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1.76163239
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[
2.1575502325,
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[
0,
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0
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[
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2.642448585
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] | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ga", "attached"... | [
"Co",
"Au",
"Ga",
"Li"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
5.450639,
0,
0
],
[
0,
5.450639,
0
],
[
0,
0,
5.450639
]
] | -15.583443 | [
1.354,
0.009,
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-0.011
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 1.317151 | 3.981914 | pbe | true | 5e4809386695ecfa7e8bc3bce45cc114_216_Li1Ga1Co1Au1 |
[
"Au",
"Cl",
"Pd",
"S"
] | 5 | A2BCD | AuCl2PdS | Pd1 Au1 S1 Cl2 | 4 | [
1,
1,
1
] | 3 | [
[
4.82149414,
0,
0
],
[
0,
4.82149414,
0
],
[
0,
0,
4.74344357
]
] | agm001693209 | [
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0,
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[
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[
0,
0,
0
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[
0,
2.41074707,
0
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[
2.41074707,
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] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Pd", "attached": ... | [
"S",
"Au",
"Pd",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
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[
2.6572535,
0,
0
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[
0,
2.6572535,
0
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[
0,
0,
2.5167832
]
] | -14.639789 | [
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0,
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[
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[
0,
0,
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000163 | 4.275423 | pbe | true | b0755ea901c61e50fd96fa28b245221d_123_Pd1Au1S1Cl2 |
[
"Au",
"Co",
"Lu",
"Mg"
] | 4 | ABCD | AuCoLuMg | Lu1 Mg1 Co1 Au1 | 4 | [
1,
1,
1
] | 3 | [
[
4.67988305,
0,
0
],
[
2.33994153,
4.05289761,
0
],
[
2.33994153,
1.35096587,
3.82110851
]
] | agm001375725 | [
[
0,
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[
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[
2.3399415274999997,
1.35096587,
0.9552771275
],
[
4.6798830549999995,
2.70193174,
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]
] | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Au", "attached"... | [
"Co",
"Mg",
"Lu",
"Au"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
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0
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[
0,
2.6322808,
0
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[
0,
0,
2.6322808
]
] | -17.921432 | [
1.024,
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0.009
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
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[
0,
0,
0
]
] | 0.761854 | 1.994432 | pbe | true | 6cf39b6059048d82fdaca458a6563240_216_Lu1Mg1Co1Au1 |
[
"Au",
"Co",
"Pu",
"Tb"
] | 4 | ABCD | AuCoPuTb | Tb1 Pu1 Co1 Au1 | 4 | [
1,
1,
1
] | 3 | [
[
4.9621474,
0,
0
],
[
2.4810737,
4.29734571,
0
],
[
2.4810737,
1.43244857,
4.05157639
]
] | agm001376879 | [
[
7.4432211,
4.29734571,
3.0386822925
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[
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],
[
0,
0,
0
],
[
2.4810737,
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]
] | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Pu", "attached"... | [
"Tb",
"Co",
"Au",
"Pu"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
3.61396,
0,
0
],
[
0,
3.61396,
0
],
[
0,
0,
3.61396
]
] | -30.187255 | [
0.244,
-1.102,
0.051,
5.312
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 4.885627 | 12.518356 | pbe | true | 080eb1a8167a4aa8b98bcac4ccb57a17_216_Tb1Pu1Co1Au1 |
[
"Au",
"Cr",
"Mn",
"Ta"
] | 5 | A2BCD | AuCr2MnTa | Ta1 Mn1 Cr2 Au1 | 4 | [
1,
1,
1
] | 3 | [
[
4.59808021,
0,
0
],
[
0,
4.64119487,
0
],
[
0,
0,
4.59808021
]
] | agm001495264 | [
[
0,
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[
2.299040105,
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[
0,
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0
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[
0,
0,
0
],
[
2.299040105,
2.320597435,
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]
] | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ta", "attached"... | [
"Cr",
"Cr",
"Mn",
"Au",
"Ta"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
3.1671414,
0,
0
],
[
0,
5.9040666,
0
],
[
0,
0,
3.1671414
]
] | -33.683993 | [
0.047,
0.06,
3.59,
0.058,
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] | [
[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.152878 | 10.609623 | pbe | true | 10b36375a6f28db0b020d14f6be60cc3_123_Ta1Mn1Cr2Au1 |
[
"Au",
"Cr",
"Rh",
"Sr"
] | 5 | A2BCD | AuCrRh2Sr | Sr1 Cr1 Rh2 Au1 | 4 | [
1,
1,
1
] | 3 | [
[
4.84463978,
0,
0
],
[
0,
4.70317791,
0
],
[
0,
0,
4.84463978
]
] | agm001527605 | [
[
0,
0,
2.42231989
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[
2.42231989,
0,
0
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[
2.42231989,
2.351588955,
2.42231989
],
[
0,
2.351588955,
0
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Sr", "attached"... | [
"Rh",
"Rh",
"Au",
"Cr",
"Sr"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
6.9861097,
0,
0
],
[
0,
4.7962675,
0
],
[
0,
0,
6.9861097
]
] | -18.305015 | [
0.018,
0.087,
-0.007,
0.124,
0.004
] | [
[
0,
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0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.214374 | 10.369867 | pbe | true | 087a383d9dd074a2f072f1639988a752_123_Sr1Cr1Rh2Au1 |
[
"Au",
"Cr",
"Si",
"V"
] | 4 | ABCD | AuCrSiV | V1 Cr1 Si1 Au1 | 4 | [
1,
1,
1
] | 3 | [
[
2.73450989,
0,
-0.00033145
],
[
0,
3.95734011,
0
],
[
-0.49105383,
0,
5.17037539
]
] | agm002024674 | [
[
2.325613257519245,
1.978670055,
2.702149358408164
],
[
0.6774990545759021,
0,
3.6728905233089533
],
[
0.9555498106282276,
0,
1.138664344118822
],
[
1.7993005542620262,
1.978670055,
4.860697181532476
]
] | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}, {"mass": null, "name": "Si", "attached": ... | [
"Cr",
"Si",
"Au",
"V"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
5.1187596,
0,
0.10468541
],
[
0,
5.182399,
0
],
[
0.10468483,
0,
4.657779
]
] | -27.684461 | [
-0.013,
0,
0,
0.007
] | [
[
0.00117208,
0,
0.00477393
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[
0.00138037,
0,
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[
-0.00337399,
0,
0.00290318
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[
0.00082154,
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-0.00578579
]
] | -0.005767 | 2.955659 | pbe | true | ddfa5bfcefdcec79176714d2236a7ac2_6_V1Cr1Si1Au1 |
[
"Au",
"Cs",
"H",
"Pd"
] | 10 | A6B2CD | AuCs2H6Pd | Cs2 H6 Pd1 Au1 | 4 | [
1,
1,
1
] | 3 | [
[
5.29002918,
0.00021325,
-0.00055194
],
[
0.00017839,
5.29001397,
-0.00069683
],
[
2.64446205,
2.64443863,
5.46069901
]
] | agm004930474 | [
[
5.289443113808161,
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2.7297685935589215
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[
2.6452284665080406,
5.289405284255407,
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3.8002511224427704
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[
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6.601325847851192,
5.458020136608093
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[
... | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Pd", "attached": ... | [
"Cs",
"Cs",
"H",
"H",
"H",
"H",
"H",
"H",
"Pd",
"Au"
] | 2023-11-16 06:57:59 | [
0.1,
0.2,
0.6,
0.1
] | [
[
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0.00232796,
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[
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],
[
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] | -31.636473 | [
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0,
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0,
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0,
0
] | [
[
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[
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[
0.00399206,
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[
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0.004010... | -0 | 2.550571 | pbe | true | 9a1517b6d4cc18d086e0d88bd972be5f_139_Cs2H6Pd1Au1 |
[
"Au",
"Cu",
"Hg",
"Ti"
] | 4 | ABCD | AuCuHgTi | Ti1 Cu1 Hg1 Au1 | 4 | [
1,
1,
1
] | 3 | [
[
4.56990253,
0,
0
],
[
2.28495127,
3.95765169,
0
],
[
2.28495127,
1.31921723,
3.73130979
]
] | agm001292034 | [
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[
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[
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3.95765169,
2.7984823425
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[
2.2849512675000003,
1.31921723,
0.9328274475
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ti", "attached"... | [
"Au",
"Hg",
"Cu",
"Ti"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
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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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] | -15.946809 | [
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[
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0
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[
0,
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[
0,
0,
0
]
] | 0.000025 | 2.572341 | pbe | true | 6bd65990b6b69252a1f09adb1b51370b_216_Ti1Cu1Hg1Au1 |
[
"Au",
"Cu",
"Li",
"Nd"
] | 4 | ABCD | AuCuLiNd | Li1 Nd1 Cu1 Au1 | 4 | [
1,
1,
1
] | 3 | [
[
4.9070724,
0,
0
],
[
2.4535362,
4.24964936,
0
],
[
2.4535362,
1.41654979,
4.00660784
]
] | agm001342241 | [
[
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3.00495588
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[
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[
4.9070724,
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2.00330392
],
[
2.4535362,
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] | [{"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": "Cu", "attached"... | [
"Nd",
"Au",
"Cu",
"Li"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
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[
0,
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0
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[
0,
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] | -15.441085 | [
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[
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[
0,
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0
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[
0,
0,
0
]
] | -0.000005 | 2.857442 | pbe | true | 81599b1331024e7b40793400d8e4d6ed_216_Li1Nd1Cu1Au1 |
[
"Au",
"Cu",
"Tb",
"Zn"
] | 18 | A12B3C2D | AuCu3Tb2Zn12 | Tb2 Zn12 Cu3 Au1 | 4 | [
1,
1,
1
] | 3 | [
[
7.96873434,
-0.1174605,
-0.0833136
],
[
3.83324118,
6.98718727,
-0.0833136
],
[
3.83324118,
2.2312637,
6.62187205
]
] | agm004500385 | [
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[
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[
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[
... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Zn", "attached"... | [
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"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Cu",
"Cu",
"Cu",
"Au"
] | 2023-11-16 06:57:59 | [
0.05555555555555555,
0.16666666666666666,
0.1111111111111111,
0.6666666666666666
] | [
[
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[
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],
[
-0.05682173,
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] | -36.113891 | [
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0,
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0,
0,
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0
] | [
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[
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[
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0.00344... | -0.000023 | 8.092813 | pbe | true | afd9f8aaecd91a8377be68ba803b57cb_166_Tb2Zn12Cu3Au1 |
[
"Au",
"Dy",
"Ga",
"Pd"
] | 20 | A5B2C2D | AuDy2Ga2Pd5 | Dy4 Ga4 Pd10 Au2 | 4 | [
1,
1,
1
] | 3 | [
[
3.78649148,
0,
0
],
[
0,
9.76491089,
0
],
[
0,
0,
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]
] | agm005140708 | [
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[
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[
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1.1787492470368475,
6.061204692036847
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[
... | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Pd", "attached"... | [
"Dy",
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"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Au",
"Au"
] | 2023-11-16 06:57:59 | [
0.1,
0.2,
0.2,
0.5
] | [
[
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0
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[
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0
],
[
0,
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] | -103.015326 | [
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[
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[
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[
0,
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[
0,
-0.00124963,
... | 0.000005 | 12.495449 | pbe | true | 20178e3bf06028a30590115ef2467692_127_Dy4Ga4Pd10Au2 |
[
"Au",
"Dy",
"Ho",
"Pb"
] | 4 | ABCD | AuDyHoPb | Dy1 Ho1 Pb1 Au1 | 4 | [
1,
1,
1
] | 3 | [
[
5.24781292,
0,
0
],
[
2.62390646,
4.5447393,
0
],
[
2.62390646,
1.5149131,
4.2848213
]
] | agm001377281 | [
[
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2.14241065
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[
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0
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[
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4.5447393,
3.2136159749999997
],
[
2.62390646,
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1.071205325
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] | [{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Dy", "attached"... | [
"Pb",
"Au",
"Ho",
"Dy"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
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0
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[
0,
2.907263,
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[
0,
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] | -18.563705 | [
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[
0,
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[
0,
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[
0,
0,
0
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] | 0.642483 | 3.737968 | pbe | true | e3ae85d088153af89f0782d0feaf5e70_216_Dy1Ho1Pb1Au1 |
[
"Au",
"Er",
"In",
"La"
] | 8 | A4B2CD | Au4ErIn2La | La1 Er1 In2 Au4 | 4 | [
1,
1,
1
] | 3 | [
[
4.96671571,
0,
0
],
[
2.48335786,
4.30130198,
0
],
[
2.48335785,
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] | agm004804376 | [
[
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[
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[
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[
4.966715682854907,
2.867534633350812,
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],... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Au", "attached"... | [
"La",
"Er",
"In",
"In",
"Au",
"Au",
"Au",
"Au"
] | 2023-11-16 06:57:59 | [
0.5,
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] | [
[
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[
0,
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[
0,
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] | -33.643916 | [
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[
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[
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[
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[
0,
0,
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[
0,
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]
] | 0 | 5.761069 | pbe | true | d88d9474d24fa27b334ae4fe3038eced_166_La1Er1In2Au4 |
[
"Au",
"Eu",
"Te",
"Tl"
] | 4 | ABCD | AuEuTeTl | Eu1 Tl1 Te1 Au1 | 4 | [
1,
1,
1
] | 3 | [
[
5.4842977,
0,
0
],
[
2.74214885,
4.74954113,
0
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[
2.74214885,
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] | agm001347462 | [
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[
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[
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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": "Au", "attached"... | [
"Eu",
"Tl",
"Te",
"Au"
] | 2023-11-16 06:57:59 | [
0.25,
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0.25,
0.25
] | [
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[
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[
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] | -21.768199 | [
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[
0,
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0
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[
0,
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0
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[
0,
0,
0
]
] | -7.001359 | 0.383075 | pbe | true | cd4a627ea39382596cacc7093b81096c_216_Eu1Tl1Te1Au1 |
[
"Au",
"F",
"Ir",
"N"
] | 4 | ABCD | AuFIrN | Ir1 Au1 N1 F1 | 4 | [
1,
1,
1
] | 3 | [
[
3.66823169,
0,
0.00114918
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[
0,
2.75421596,
0
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[
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0,
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] | agm002103456 | [
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0,
4.629092079518823
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[
0.8237288309700439,
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6.780150410609889
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] | [{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Ir", "attached": nu... | [
"Ir",
"Au",
"N",
"F"
] | 2023-11-16 06:57:59 | [
0.25,
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0.25
] | [
[
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[
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[
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] | -21.98516 | [
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[
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0,
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[
0.00378906,
0,
0.00338184
]
] | 0.000153 | 3.466604 | pbe | true | 5c9641f0ebbc9698e9d94248514eec62_6_Ir1Au1N1F1 |
[
"Au",
"F",
"K",
"Ni"
] | 10 | A6B2CD | AuF6K2Ni | Au1 F6 K2 Ni1 | 4 | [
1,
1,
1
] | 3 | [
[
6.0317297,
-1.5e-7,
-1.1e-7
],
[
3.01586508,
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],
[
3.01586508,
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] | mp-1111941 | [
[
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[
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[
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],
[
4.397070019560842,
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1.1277490453397747
]... | [{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "K", "attached": n... | [
"K",
"K",
"Ni",
"Au",
"F",
"F",
"F",
"F",
"F",
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] | 2018-08-14 22:15:58 | [
0.1,
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] | [
[
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[
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[
-1e-8,
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] | -41.639209 | [
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[
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[
0,
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... | 0.956 | 0.192224 | pbe | true | 569ff97676013e1420c8e227ed885eac_225_K2Ni1Au1F6 |
[
"Au",
"Fe",
"Ir",
"Si"
] | 5 | A2BCD | AuFe2IrSi | Fe2 Si1 Ir1 Au1 | 4 | [
1,
1,
1
] | 3 | [
[
4.40928209,
0,
0
],
[
0,
5.11210986,
0
],
[
0,
0,
4.40928209
]
] | agm001532871 | [
[
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[
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0
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[
0,
2.55605493,
0
],
[
0,
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2.204641045
],
[
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]
] | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Si", "attached"... | [
"Si",
"Ir",
"Au",
"Fe",
"Fe"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
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0,
0
],
[
0,
3.3596756,
0
],
[
0,
0,
2.7068098
]
] | -26.57446 | [
0.029,
0.013,
0.002,
-0.125,
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] | [
[
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[
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[
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0
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[
0,
0,
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[
0,
0,
0
]
] | -0.110314 | 8.225582 | pbe | true | 0584b2f623ad2a8fea2bc661b5177c8e_123_Fe2Si1Ir1Au1 |
[
"Au",
"Fe",
"Mo",
"Rb"
] | 5 | A2BCD | AuFeMoRb2 | Rb2 Fe1 Mo1 Au1 | 4 | [
1,
1,
1
] | 3 | [
[
6.48827028,
0,
0
],
[
0,
6.48827028,
0
],
[
0,
0,
4.92039445
]
] | agm001419959 | [
[
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2.460197225
],
[
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0,
2.460197225
],
[
0,
0,
0
],
[
0,
3.24413514,
0
],
[
3.24413514,
0,
0
]
] | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Rb", "attached"... | [
"Mo",
"Au",
"Fe",
"Rb",
"Rb"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
0.58362645,
0,
0
],
[
0,
0.58362645,
0
],
[
0,
0,
1.940765
]
] | -17.118236 | [
4.006,
0.122,
2.98,
0.004,
0.004
] | [
[
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[
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[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
]
] | 8.253305 | 6.064001 | pbe | true | 5a68e316682c14b967bb3812a2f032c2_123_Rb2Fe1Mo1Au1 |
[
"Au",
"Ga",
"In",
"Te"
] | 8 | A4B2CD | Au2GaInTe4 | In1 Ga1 Te4 Au2 | 4 | [
1,
1,
1
] | 3 | [
[
6.39688937,
0.26590895,
0.00002917
],
[
-0.26562525,
6.39690116,
0.00002917
],
[
-3.06560393,
-3.33137449,
6.4022857
]
] | agm004786850 | [
[
3.0656333257684394,
3.33140642679243,
6.400228586865126
],
[
3.0655760330563453,
3.331344170834895,
0.0029447836585704003
],
[
1.4575307385468694,
1.583890423481028,
4.760847551938899
],
[
1.4802143944869912,
4.790400714545086,
1.6427533661555038
],
... | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Au", "attached"... | [
"In",
"Ga",
"Te",
"Te",
"Te",
"Te",
"Au",
"Au"
] | 2023-11-16 06:57:59 | [
0.25,
0.125,
0.125,
0.5
] | [
[
1.6915928,
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-0.00392393
],
[
0.02315831,
1.6954479,
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],
[
-0.00392396,
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1.5135678
]
] | -26.718836 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
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[
0.0001892,
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],
[
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[
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],
[
-0.00070449,
0.00059652,
-0.00243964
],
[
0.00001574,
0.000017... | 0 | 0.593228 | pbe | true | 47b3c4f10d8d01e7e84c98b0722f4e4e_42_In1Ga1Te4Au2 |
[
"Au",
"Ga",
"Nd",
"Sr"
] | 4 | ABCD | AuGaNdSr | Sr1 Nd1 Ga1 Au1 | 4 | [
1,
1,
1
] | 3 | [
[
5.3479514,
0,
0
],
[
2.6739757,
4.63146177,
0
],
[
2.6739757,
1.54382059,
4.36658403
]
] | agm001360671 | [
[
0,
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0
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[
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4.63146177,
3.2749380225
],
[
2.6739757,
1.54382059,
1.0916460075
],
[
5.3479514,
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2.183292015
]
] | [{"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Sr", "attached"... | [
"Nd",
"Au",
"Ga",
"Sr"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
1.5348488,
0,
0
],
[
0,
1.5348488,
0
],
[
0,
0,
1.5348488
]
] | -14.974881 | [
0,
0,
0,
0
] | [
[
0,
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0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000046 | 4.597766 | pbe | true | 859283c28cd0e288c4817e6ae80d026a_216_Sr1Nd1Ga1Au1 |
[
"Au",
"Ga",
"Pb",
"Th"
] | 4 | ABCD | AuGaPbTh | Th1 Ga1 Pb1 Au1 | 4 | [
1,
1,
1
] | 3 | [
[
5.16775514,
0,
0
],
[
2.58387757,
4.47540723,
0
],
[
2.58387757,
1.49180241,
4.2194544
]
] | agm001360700 | [
[
5.16775514,
2.98360482,
2.1097272
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[
2.58387757,
1.49180241,
1.0548636
],
[
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4.47540723,
3.1645908
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Th", "attached"... | [
"Pb",
"Au",
"Ga",
"Th"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
2.9487395,
0,
0
],
[
0,
2.9487395,
0
],
[
0,
0,
2.9487395
]
] | -18.732039 | [
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000007 | 1.889488 | pbe | true | 359dbc3f82fcc934ab165dca83e718fe_216_Th1Ga1Pb1Au1 |
[
"Au",
"Ge",
"H",
"Pb"
] | 5 | A2BCD | Au2GeHPb | Ge1 H1 Pb1 Au2 | 4 | [
1,
1,
1
] | 3 | [
[
5.18507933,
0,
0
],
[
0,
5.18507933,
0
],
[
0,
0,
3.5814113
]
] | agm001666208 | [
[
2.592539665,
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1.79070565
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[
0,
0,
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[
0,
0,
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[
0,
2.592539665,
0
],
[
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]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Pb", "attached": ... | [
"Pb",
"H",
"Ge",
"Au",
"Au"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
4.9771557,
0,
0
],
[
0,
4.9771557,
0
],
[
0,
0,
4.7252946
]
] | -17.632949 | [
0,
0,
0,
0,
0
] | [
[
0,
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0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000002 | 2.507719 | pbe | true | c5952987746754a307856bdedcf595dc_123_Ge1H1Pb1Au2 |
[
"Au",
"Ge",
"La",
"Pm"
] | 4 | ABCD | AuGeLaPm | La1 Pm1 Ge1 Au1 | 4 | [
1,
1,
1
] | 3 | [
[
5.2830599,
0,
0
],
[
2.64152995,
4.57526408,
0
],
[
2.64152995,
1.52508803,
4.31360034
]
] | agm001288004 | [
[
2.64152995,
1.5250880275,
1.078400085
],
[
5.2830599,
3.050176055,
2.15680017
],
[
7.924589849999999,
4.5752640825,
3.2352002549999996
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pm", "attached"... | [
"Ge",
"La",
"Au",
"Pm"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
1.6451734,
0,
0
],
[
0,
1.6451734,
0
],
[
0,
0,
1.6451734
]
] | -20.529012 | [
-0.021,
0.187,
0.053,
0.241
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.873115 | 3.182508 | pbe | true | a01208f86b0a481bf0e6c983cf177f92_216_La1Pm1Ge1Au1 |
[
"Au",
"Ho",
"Na",
"Si"
] | 18 | A12B3C2D | Au12HoNa2Si3 | Na2 Ho1 Si3 Au12 | 4 | [
1,
1,
1
] | 3 | [
[
7.49694476,
-0.86886968,
-0.61628089
],
[
2.94686211,
6.94802986,
-0.61628089
],
[
2.94686211,
1.7153177,
6.76110984
]
] | agm004496389 | [
[
7.826274505057933,
4.555539652544081,
3.2312003826387987
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[
5.564394474942066,
3.2389382274559186,
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[
0,
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[
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[
1.473431055,
3.47401493,
-0.308140445
],
[
1.4734... | [{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Si", "attached"... | [
"Na",
"Na",
"Ho",
"Si",
"Si",
"Si",
"Au",
"Au",
"Au",
"Au",
"Au",
"Au",
"Au",
"Au",
"Au",
"Au",
"Au",
"Au"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.05555555555555555,
0.1111111111111111,
0.16666666666666666
] | [
[
5.193163,
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[
-0.0336849,
5.2314253,
-0.01390734
],
[
-0.02389237,
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5.2411685
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] | -64.311996 | [
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0,
0,
0,
0,
0,
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] | [
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[
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[
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[
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[
0,
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0
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[
-0.00194845,
-0.00113416,
0.00169857
],
[
0.00073621,
0.000... | 0 | 4.704449 | pbe | true | 28d664e40e5c84e5e441d3f1a3defc2f_166_Na2Ho1Si3Au12 |
[
"Au",
"In",
"Rb",
"Sn"
] | 8 | A4B2CD | Au4In2RbSn | Rb1 In2 Sn1 Au4 | 4 | [
1,
1,
1
] | 3 | [
[
4.70639492,
0,
0
],
[
2.35319746,
4.07585756,
0
],
[
2.35319746,
1.35861919,
11.02585883
]
] | agm004796877 | [
[
0,
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[
7.059592356468026,
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8.09949732534006
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[
2.353197483531974,
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2.92636150465994
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[
4.70639492,
2.717238375,
5.512929415
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[
4.706394896468026,
2.717238362316854,
8.499985626312972
],
... | [{"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": "Rb", "attached"... | [
"Rb",
"In",
"In",
"Sn",
"Au",
"Au",
"Au",
"Au"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.125,
0.125
] | [
[
4.555275,
0,
0
],
[
0,
4.555275,
0
],
[
0,
0,
4.396757
]
] | -24.813649 | [
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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[
0,
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[
0,
0,
-0.00270968
],
[
0,
0,
0.00270968
],
[
0,
0,
0.00086558
]
] | -0.000004 | 2.801128 | pbe | true | 9f610ca21de708098ad0b403dd86bf3c_166_Rb1In2Sn1Au4 |
[
"Au",
"Ir",
"La",
"Pm"
] | 4 | ABCD | AuIrLaPm | La1 Pm1 Ir1 Au1 | 4 | [
1,
1,
1
] | 3 | [
[
5.15325883,
0,
0
],
[
2.57662942,
4.46285306,
0
],
[
2.57662942,
1.48761769,
4.20761822
]
] | agm001373701 | [
[
7.7298882525,
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3.1557136649999995
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[
2.5766294175,
1.4876176874999998,
1.051904555
],
[
0,
0,
0
],
[
5.153258835,
2.9752353749999996,
2.10380911
]
] | [{"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": "Ir", "attached"... | [
"Ir",
"Au",
"La",
"Pm"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
2.9946783,
0,
0
],
[
0,
2.9946783,
0
],
[
0,
0,
2.9946783
]
] | -24.579392 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000001 | 3.525601 | pbe | true | 7df78fb02b3fe166089f44dd693d2001_216_La1Pm1Ir1Au1 |