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 ⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"Au",
"Cd",
"Cr"
] | 5 | A3BC | Au3CdCr | Cr1 Cd1 Au3 | 3 | [
1,
1,
1
] | 3 | [
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"Cr",
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"Au",
"Au",
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] | -15.955228 | [
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] | 4.798627 | 2.071573 | pbe | true | cb7b5231d0b1384f13e4cfacc3a0d6f0_221_Cr1Cd1Au3 |
[
"Au",
"Cd",
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] | 9 | A4B3C2 | Au4Cd3In2 | Cd3 In2 Au4 | 3 | [
1,
1,
1
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[... | -0.000004 | 3.186398 | pbe | true | f412845b205620cf39daff156baffbc2_12_Cd3In2Au4 |
[
"Au",
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] | 7 | A4B2C | Au4Cd2Li | Li1 Cd2 Au4 | 3 | [
1,
1,
1
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] | agm005838180 | [
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"Li",
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"Cd",
"Au",
"Au",
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] | 2023-11-16 06:57:59 | [
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... | 0 | 1.351122 | pbe | true | ce91bcd978ce8a7fe22bdbdaa99828c7_2_Li1Cd2Au4 |
[
"Au",
"Cd",
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] | 8 | A4B3C | Au3Cd4Li | Li1 Cd4 Au3 | 3 | [
1,
1,
1
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] | agm003551659 | [
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1.6... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Au", "attached"... | [
"Li",
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"Cd",
"Cd",
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] | 2023-11-16 06:57:59 | [
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] | -17.141715 | [
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... | 0 | 2.22518 | pbe | true | 6af7bfa02bea6d81b350c354cdfed59e_71_Li1Cd4Au3 |
[
"Au",
"Ce",
"In"
] | 8 | A2BC | Au2CeIn | Ce2 In2 Au4 | 3 | [
1,
1,
1
] | 3 | [
[
4.8436106,
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0
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] | agm002217205 | [
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"Au",
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] | 2023-11-16 06:57:59 | [
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] | -35.288815 | [
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0,
0,
0
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[
0,
0,
0
]
] | 1.906872 | 10.70244 | pbe | true | 6c477dae9ae0025c348077fa31c43fee_194_Ce2In2Au4 |
[
"Au",
"Cl",
"I"
] | 12 | A3B2C | Au3Cl2I | Au6 I2 Cl4 | 3 | [
1,
1,
1
] | 3 | [
[
8.05625144,
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0
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[
2.37416325,
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[
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] | agm2000103283 | [
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[
... | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Au", "attached": ... | [
"Au",
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"I",
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] | 2023-11-16 06:57:59 | [
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0.0019... | 0 | 0 | pbe | true | e48514525c8a9f84da9135065039f486_7_Au6I2Cl4 |
[
"Au",
"Cl",
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] | 22 | A6B3C2 | Au3Cl6Li2 | Li4 Au6 Cl12 | 3 | [
1,
1,
1
] | 3 | [
[
6.3011639,
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[
2... | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Au", "attached"... | [
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] | 2023-11-16 06:57:59 | [
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0,
0... | 0.000001 | 31.370747 | pbe | true | 9f5e819fe600aa8387cc3d11cc67c5dc_15_Li4Au6Cl12 |
[
"Au",
"Cl",
"Te"
] | 4 | A2BC | Au2ClTe | Te1 Au2 Cl1 | 3 | [
1,
1,
1
] | 3 | [
[
3.0190755,
0,
0
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[
0,
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] | agm003920305 | [
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] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Au", "attached"... | [
"Au",
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"Te"
] | 2023-11-16 06:57:59 | [
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] | -10.559098 | [
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] | 0.000001 | 2.256189 | pbe | true | 12ac5301273709e9d4d5162788a9640f_47_Te1Au2Cl1 |
[
"Au",
"Co",
"P"
] | 5 | A3BC | Au3CoP | Co1 P1 Au3 | 3 | [
1,
1,
1
] | 3 | [
[
4.66575777,
0,
0
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[
0,
4.66575777,
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] | agm002567378 | [
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] | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Au", "attached": ... | [
"Co",
"Au",
"Au",
"Au",
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] | 2023-11-16 06:57:59 | [
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] | -18.714716 | [
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[
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0,
0,
0
]
] | 1.689088 | 7.386157 | pbe | true | 4c8ddbfdc11b921e3b867ecec5cb7a02_221_Co1P1Au3 |
[
"Au",
"Cr",
"Si"
] | 4 | A2BC | Au2CrSi | Cr1 Si1 Au2 | 3 | [
1,
1,
1
] | 3 | [
[
3.72100235,
0,
0
],
[
0,
2.89627172,
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[
0,
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]
] | agm003923062 | [
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] | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Au", "attached"... | [
"Au",
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] | 2023-11-16 06:57:59 | [
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] | -21.493878 | [
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] | 2.397918 | 2.065598 | pbe | true | d495f001fe3f4338cea9abf6d9e4404f_38_Cr1Si1Au2 |
[
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1,
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1
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[
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1,
1
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[
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... | 0.004499 | 9.811109 | pbe | true | 7bac8acb67598ea4afdc690e97f5c469_63_Dy2Er4Au2 |
[
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[
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1,
1
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[
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1,
1
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[
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... | 0 | 3.57061 | pbe | true | 4d06e13ec182644a15cb77ec3dfdf416_11_Dy2Si2Au4 |
[
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1
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[
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0.0053... | 0 | 2.891 | pbe | true | 80da9ffc0c07570ea12d8767ad4a3992_1_Pd2Au2F6 |
[
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[
0,
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[
0,
0.00... | 0 | 3.609338 | pbe | true | f22fc9c3c370cca208b6b515c6d5754a_176_Na2Ga6Au6 |
[
"Au",
"Ga",
"Pr"
] | 5 | A3BC | AuGa3Pr | Pr1 Ga3 Au1 | 3 | [
1,
1,
1
] | 3 | [
[
4.35130444,
0,
0
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[
0,
4.35130444,
0
],
[
2.17565222,
2.17565222,
5.45877105
]
] | agm005285521 | [
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[
... | [{"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Ga", "attached"... | [
"Pr",
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"Ga",
"Ga",
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] | 2023-11-16 06:57:59 | [
0.2,
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[
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3.4872842,
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[
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] | -20.202391 | [
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[
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0,
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0,
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] | 0 | 1.352771 | pbe | true | 834933e4862727ba6730cbeabf3eae68_107_Pr1Ga3Au1 |
[
"Au",
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"W"
] | 5 | A3BC | AuGaW3 | Ga1 W3 Au1 | 3 | [
1,
1,
1
] | 3 | [
[
4.56734719,
0,
0
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[
0,
4.56734719,
0
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[
0,
0,
4.56734719
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] | agm002482466 | [
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[
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] | [{"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Au", "attached": ... | [
"Au",
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"W",
"W",
"W"
] | 2023-11-16 06:57:59 | [
0.2,
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0.6
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[
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3.3080044,
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] | -36.020762 | [
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[
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[
0,
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] | 0 | 2.876388 | pbe | true | 1a90f1a0f8fe1d49481c6f3e646bb92b_221_Ga1W3Au1 |
[
"Au",
"Ge",
"La"
] | 8 | A2BC | AuGeLa2 | La4 Ge2 Au2 | 3 | [
1,
1,
1
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[
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0,
0
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[
0,
8.00676341,
0
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[
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] | agm002833645 | [
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[
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6.0050... | [{"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": "Au", "attached"... | [
"Ge",
"Ge",
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"Au",
"La",
"La",
"La",
"La"
] | 2023-11-16 06:57:59 | [
0.25,
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[
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] | -39.494517 | [
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[
0,
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[
0,
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0
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] | -0.000026 | 7.349461 | pbe | true | 9f7467dbf921a568aa76d404c47bfbc3_122_La4Ge2Au2 |
[
"Au",
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] | 11 | A4B4C3 | Au4Ge4Li3 | Li3 Ge4 Au4 | 3 | [
1,
1,
1
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[
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0,
0
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[
0,
3.02895936,
0
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[
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] | agm003377085 | [
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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": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Au", "attached"... | [
"Li",
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"Ge",
"Ge",
"Ge",
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] | 2023-11-16 06:57:59 | [
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[
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] | -40.155234 | [
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... | -0.000004 | 3.255864 | pbe | true | 77f8bb7b3fec6d391d3d2bf48d01381d_71_Li3Ge4Au4 |
[
"Au",
"Ge",
"Tb"
] | 4 | A2BC | Au2GeTb | Tb1 Ge1 Au2 | 3 | [
1,
1,
1
] | 3 | [
[
3.73827414,
0,
0
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[
0,
3.73827414,
0
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[
0,
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] | agm001114005 | [
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Au", "attached"... | [
"Tb",
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] | 2023-11-16 06:57:59 | [
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[
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[
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] | -17.819386 | [
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[
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[
0,
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[
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] | 0 | 1.343762 | pbe | true | ed74f07b7b72569c7f670a08d3f25981_123_Tb1Ge1Au2 |
[
"Au",
"Ge",
"U"
] | 5 | A2B2C | Au2Ge2U | U1 Ge2 Au2 | 3 | [
1,
1,
1
] | 3 | [
[
4.29371968,
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[
0.00617908,
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[
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4.272703698852... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Au", "attached": ... | [
"Au",
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] | 2023-11-16 06:57:59 | [
0.4,
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[
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] | -27.611635 | [
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2.547
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[
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] | 2.717119 | 6.741409 | pbe | true | 5a6ffb579927f8874dfb7b4dd9b782f9_12_U1Ge2Au2 |
[
"Au",
"Hf",
"Li"
] | 10 | A2B2C | Au2HfLi2 | Li4 Hf2 Au4 | 3 | [
1,
1,
1
] | 3 | [
[
7.48140324,
0,
0
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[
0,
7.48140324,
0
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[
0,
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] | agm002988013 | [
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[
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... | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Au", "attached"... | [
"Hf",
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] | 2023-11-16 06:57:59 | [
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[
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[
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] | -44.717364 | [
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... | 0 | 5.509513 | pbe | true | 64428139250709051a2b8abd883b6414_127_Li4Hf2Au4 |
[
"Au",
"Hf",
"Sn"
] | 10 | A2B2C | Au2Hf2Sn | Hf4 Sn2 Au4 | 3 | [
1,
1,
1
] | 3 | [
[
3.89031865,
0,
0
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[
0,
7.29297013,
0
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[
0,
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] | agm002357749 | [
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[
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... | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Au", "attached"... | [
"Hf",
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] | 2023-11-16 06:57:59 | [
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[
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] | -64.623114 | [
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[
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[
0,
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... | -0 | 6.562481 | pbe | true | ed07f759f55436da868fc5020290881b_127_Hf4Sn2Au4 |
[
"Au",
"Hg",
"Te"
] | 16 | A4B3C | AuHg3Te4 | Hg6 Te8 Au2 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
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[
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] | agm003557349 | [
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[
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... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Au", "attached"... | [
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] | 2023-11-16 06:57:59 | [
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[
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... | 0 | 8.017921 | pbe | true | 9a4b0bb7649a4bd0826b5d1f18915f81_31_Hg6Te8Au2 |
[
"Au",
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1,
1,
1
] | 3 | [
[
3.51695169,
0,
0
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[
0,
3.51695169,
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[
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] | agm005785022 | [
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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": "Au", "attached"... | [
"Ho",
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] | 2023-11-16 06:57:59 | [
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[
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] | -0.000001 | 4.152112 | pbe | true | 08caa1bd2fc23a6e4928a2e131aa1f8b_123_Ho3Pb1Au2 |
[
"Au",
"In",
"Li"
] | 4 | A2BC | AuInLi2 | Li2 In1 Au1 | 3 | [
1,
1,
1
] | 3 | [
[
4.65010771,
-0.16947493,
0.19653425
],
[
2.69912398,
3.79037639,
0.19653425
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[
1.97157402,
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3.83142118
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] | agm003181256 | [
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1.9721520335687066,
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3.831333198854031
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4.659824841431294,
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] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Au", "attached"... | [
"Li",
"Li",
"Au",
"In"
] | 2023-11-16 06:57:59 | [
0.25,
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[
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] | -11.570419 | [
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[
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[
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] | 0 | 0.925511 | pbe | true | 6b8a9499de41b60e6856ae5377bcfea3_139_Li2In1Au1 |
[
"Au",
"In",
"Sm"
] | 3 | ABC | AuInSm | Sm1 In1 Au1 | 3 | [
1,
1,
1
] | 3 | [
[
4.86066042,
0,
0
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[
2.43033021,
4.20909739,
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[
2.43033021,
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3.96771187
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] | agm002217350 | [
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2.430330185696698,
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[
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] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Au", "attached"... | [
"Au",
"Sm",
"In"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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[
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] | -12.646854 | [
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0,
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[
0,
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]
] | -0.00023 | 4.820685 | pbe | true | da4a4a5562604a94da4e866526388ad6_216_Sm1In1Au1 |
[
"Au",
"In",
"Se"
] | 10 | A3BC | AuInSe3 | In2 Au2 Se6 | 3 | [
1,
1,
1
] | 3 | [
[
6.89488209,
-0.00000494,
0
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[
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[
0,
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18.62267328
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] | agm2000100536 | [
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[
1.58842... | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Au", "attached"... | [
"In",
"In",
"Au",
"Au",
"Se",
"Se",
"Se",
"Se",
"Se",
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] | 2023-11-16 06:57:59 | [
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] | -32.288697 | [
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[
0.0... | -0 | -0.098361 | pbe | true | da4cdfa6eeb26bfcb59eb98932bbdfb3_26_In2Au2Se6 |
[
"Au",
"In",
"Zn"
] | 4 | A2BC | AuIn2Zn | Zn1 In2 Au1 | 3 | [
1,
1,
1
] | 3 | [
[
4.60558836,
0,
0
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[
2.30279418,
3.98855652,
0
],
[
2.30279418,
1.32951884,
5.08829176
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] | agm005118303 | [
[
4.60558836,
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3.98855519048116,
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] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Au", "attached"... | [
"Zn",
"In",
"In",
"Au"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
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[
0,
4.7020087,
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[
0,
0,
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]
] | -10.220491 | [
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[
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[
0,
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[
0,
0,
0.00507616
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[
0,
0,
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]
] | 0 | 1.22186 | pbe | true | 2acea14d4b16431e27349b9803b9dc4c_160_Zn1In2Au1 |
[
"Au",
"K",
"P"
] | 3 | ABC | AuKP | K1 P1 Au1 | 3 | [
1,
1,
1
] | 3 | [
[
6.29473309,
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[
5.3195102,
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[
0.97522284,
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] | agm004351054 | [
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[
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] | [{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Au", "attached": nu... | [
"Au",
"K",
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] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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[
0.0823112,
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] | -10.07437 | [
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[
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],
[
0.00331574,
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]
] | -0 | 1.418151 | pbe | true | de1e9530766b9dada5ae23e96e7e6f4f_42_K1P1Au1 |
[
"Au",
"K",
"Ni"
] | 3 | ABC | AuKNi | K1 Ni1 Au1 | 3 | [
1,
1,
1
] | 3 | [
[
6.26329581,
0.00359911,
0.02895764
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[
4.19266234,
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[
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] | agm004353306 | [
[
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[
6.2775861092250835,
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] | [{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Au", "attached": ... | [
"Au",
"K",
"Ni"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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] | [
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[
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] | -9.663683 | [
0,
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[
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0
],
[
-0.01064015,
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]
] | 0.000003 | 2.522704 | pbe | true | 7d70c5e6e7b3cc075cefaff710973b4c_44_K1Ni1Au1 |
[
"Au",
"La",
"Sm"
] | 18 | A4B3C2 | Au4La2Sm3 | La4 Sm6 Au8 | 3 | [
1,
1,
1
] | 3 | [
[
7.53611042,
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0
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[
-2.77257339,
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0
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[
0,
0,
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] | agm005683844 | [
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... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Au", "attached"... | [
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"Sm",
"Sm",
"Au",
"Au",
"Au",
"Au",
"Au",
"Au",
"Au",
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] | 2023-11-16 06:57:59 | [
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[
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] | -87.208571 | [
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[
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[
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0.0003... | -0.000001 | 18.74984 | pbe | true | e0612d6df31c90baba0ea35af0968236_14_La4Sm6Au8 |
[
"Au",
"Li",
"Sc"
] | 4 | A2BC | Au2LiSc | Li1 Sc1 Au2 | 3 | [
1,
1,
1
] | 3 | [
[
5.1370687,
-0.28381256,
0.29973398
],
[
3.7573004,
3.51464338,
0.29973398
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[
1.3971067,
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] | agm003174141 | [
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2.573345729801422,
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[
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[
5.146879527678558,
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] | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Au", "attached"... | [
"Sc",
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"Au",
"Li"
] | 2023-11-16 06:57:59 | [
0.5,
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] | [
[
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[
0.09309635,
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] | -17.334761 | [
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] | [
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[
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[
-0.00254549,
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] | -0 | 0.942699 | pbe | true | 5cd96291a428f3b57ad4c9400d6f1b6d_119_Li1Sc1Au2 |
[
"Au",
"Li",
"W"
] | 4 | A2BC | AuLi2W | Li2 W1 Au1 | 3 | [
1,
1,
1
] | 3 | [
[
4.90635302,
-0.01549253,
0.01471027
],
[
4.1867097,
2.55812469,
0.01471027
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[
0.5655308,
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] | agm004362691 | [
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2.4655679321182293,
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[
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[
4.864676594463532,
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] | [{"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Au", "attached": ... | [
"Au",
"Li",
"Li",
"W"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
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[
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[
0.19072466,
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2.9258971
]
] | -18.89166 | [
0,
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] | [
[
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[
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[
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[
0.00363442,
0.00101627,
0.00346112
]
] | 0.00011 | 2.416471 | pbe | true | 056ae331710beb47b2b067a2bca1db38_8_Li2W1Au1 |
[
"Au",
"Lu",
"Th"
] | 3 | ABC | AuLuTh | Lu1 Th1 Au1 | 3 | [
1,
1,
1
] | 3 | [
[
3.54921979,
0,
0
],
[
0,
3.54921979,
0
],
[
-1.7746099,
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] | agm001838136 | [
[
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[
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[
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] | [{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Lu", "attached"... | [
"Lu",
"Au",
"Th"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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0.3333333333333333
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[
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[
0,
0,
3.698719
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] | -16.616441 | [
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] | [
[
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[
0,
0,
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[
0,
0,
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]
] | -0.002607 | 4.93161 | pbe | true | 3260c25f94a8906459e101a0f4f40040_107_Lu1Th1Au1 |
[
"Au",
"Mg",
"Sm"
] | 5 | A2B2C | Au2MgSm2 | Sm2 Mg1 Au2 | 3 | [
1,
1,
1
] | 3 | [
[
4.33754692,
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],
[
2.16266199,
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],
[
2.16266254,
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] | agm002344085 | [
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3.5777613855043784
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[
2.16696778794783,
2.1191821195290292,
... | [{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Au", "attached"... | [
"Mg",
"Au",
"Au",
"Sm",
"Sm"
] | 2023-11-16 06:57:59 | [
0.4,
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] | [
[
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[
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[
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[
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1,
1,
1
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[
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1
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[
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1
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] | -0 | -0.048735 | pbe | true | afbd0d2bbd191a4ea18d4c795a3eba63_1_P1Au1S2 |
[
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1,
1
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] | -0 | 1.497271 | pbe | true | e7c8802026e628b08f1c16018d81e9ab_216_Pt1Pb2Au1 |
[
"Au",
"Pb",
"Tb"
] | 3 | ABC | AuPbTb | Au1 Pb1 Tb1 | 3 | [
1,
1,
1
] | 3 | [
[
4.20435535,
0,
2.42738569
],
[
1.40145178,
3.96390424,
2.42738569
],
[
0,
0,
4.85477138
]
] | mp-30413 | [
[
2.8029035650000003,
1.98195212,
4.85477138
],
[
1.4014517825000001,
0.99097606,
2.42738569
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Tb", "attached"... | [
"Tb",
"Au",
"Pb"
] | 2014-02-24 03:40:24 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
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0
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[
0,
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0
],
[
0,
0,
0.12131813
]
] | -13.680786 | [] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | null | 5.340578 | pbe | true | 11e6b9d1f0975038600e5306199a9fc0_216_Tb1Pb1Au1 |
[
"Au",
"Pd",
"Re"
] | 3 | ABC | AuPdRe | Au1 Pd1 Re1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.049177,
3.049177
],
[
3.049177,
0,
3.049177
],
[
3.049177,
3.049177,
0
]
] | oqmd-3696643 | [
[
1.5245899999999977,
1.5245899999999977,
1.5245899999999977
],
[
4.573769999999999,
4.573769999999999,
4.573769999999999
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Re", "attached"... | [
"Au",
"Pd",
"Re"
] | 2024-11-01 00:00:00 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
12.89362,
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0
],
[
0,
12.89362,
0
],
[
0,
0,
12.89362
]
] | -18.074 | [
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
]
] | -0.017022 | null | pbe | true | 5c22338d245d48f00a526fbb7d89d52d_216_Re1Pd1Au1 |
[
"Au",
"Pb",
"Zr"
] | 5 | A3BC | Au3PbZr | Zr1 Pb1 Au3 | 3 | [
1,
1,
1
] | 3 | [
[
5.19467505,
0,
0
],
[
0,
5.19467505,
0
],
[
0,
0,
5.19467505
]
] | agm002629958 | [
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[
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[
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[
2.597337525,
0,
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],
[
2.597337525,
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] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Au", "attached"... | [
"Pb",
"Au",
"Au",
"Au",
"Zr"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
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0
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[
0,
5.2469845,
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[
0,
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] | -17.843575 | [
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1.216
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[
0,
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[
0,
0,
0
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[
0,
0,
0
]
] | 2.110898 | 3.810817 | pbe | true | 25c1a040e02f55813dcad828b7cb4aad_221_Zr1Pb1Au3 |
[
"Au",
"Pd",
"Sr"
] | 16 | A3B3C2 | Au2Pd3Sr3 | Sr6 Pd6 Au4 | 3 | [
1,
1,
1
] | 3 | [
[
4.61580721,
0,
0
],
[
-2.30790361,
5.63413908,
0
],
[
0,
0,
15.55489302
]
] | agm003331410 | [
[
2.3079012699966945,
4.530596090331215,
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[
0.0000023300033051076763,
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[
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4.530596090331215,
1.5515122269526462
],
[
0.0000023300033051076763,
1.1035429896687852,
9.32895873695... | [{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Au", "attached"... | [
"Sr",
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"Sr",
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"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Au",
"Au",
"Au",
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] | 2023-11-16 06:57:59 | [
0.25,
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] | [
[
3.4010057,
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[
0,
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[
0,
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] | -64.272205 | [
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0,
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0,
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0,
0,
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] | [
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[
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[
0,
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[
0,
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],
[
... | -0.00002 | 6.499573 | pbe | true | 6e61024a1512fe439ede6312c30ae2ef_63_Sr6Pd6Au4 |
[
"Au",
"Pr",
"Tl"
] | 4 | A2BC | AuPrTl2 | Pr1 Tl2 Au1 | 3 | [
1,
1,
1
] | 3 | [
[
3.56629069,
0,
0
],
[
1.78314535,
3.08849834,
0
],
[
1.78314535,
1.02949944,
10.89606421
]
] | agm001992838 | [
[
0,
0,
0
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[
1.7831471499761293,
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7.625052440959664
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[
5.3494342400238715,
3.0884972982042176,
3.2710117690403364
],
[
3.566290695,
2.05899889,
5.448032105
]
] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Au", "attached"... | [
"Pr",
"Tl",
"Tl",
"Au"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
3.5147345,
0,
0
],
[
0,
3.5147345,
0
],
[
0,
0,
3.3276079
]
] | -12.427355 | [
0,
0,
0,
0
] | [
[
0,
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[
0,
0,
-0.00072087
],
[
0,
0,
0.00072087
],
[
0,
0,
0
]
] | 0 | 3.586335 | pbe | true | d0468414d832cc7950618e6067e088fd_166_Pr1Tl2Au1 |
[
"Au",
"Pr",
"Y"
] | 3 | ABC | AuPrY | Pr1 Y1 Au1 | 3 | [
1,
1,
1
] | 3 | [
[
5.08446635,
0,
0
],
[
2.54223317,
4.40327702,
0
],
[
2.54223317,
1.46775901,
4.15144939
]
] | agm001236631 | [
[
5.084466344999999,
2.935518015,
2.075724695
],
[
0,
0,
0
],
[
2.5422331724999996,
1.4677590075,
1.0378623475
]
] | [{"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Y", "attached":... | [
"Pr",
"Y",
"Au"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
1.6478524,
0,
0
],
[
0,
1.6478524,
0
],
[
0,
0,
1.6478524
]
] | -15.692331 | [
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000074 | 4.35707 | pbe | true | 1a8f3c6de9111679d93300c3b7fc6896_216_Pr1Y1Au1 |
[
"Au",
"Pu",
"Zn"
] | 20 | A5B3C2 | Au3Pu2Zn5 | Pu4 Zn10 Au6 | 3 | [
1,
1,
1
] | 3 | [
[
4.50938241,
0,
-0.76815442
],
[
0,
6.71759189,
0
],
[
-0.13470568,
0,
12.82925923
]
] | agm005590212 | [
[
2.0649049528304273,
5.0507443944280865,
12.121836399440216
],
[
0.7391950777207378,
4.896507611346741,
4.339363650843442
],
[
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1.5377116663467412,
7.721741159156558
],
[
2.3097717771695727,
1.6919484494280868,
-0.060731589440216144
],... | [{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Zn", "attached"... | [
"Pu",
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"Zn",
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"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Au",
"Au",
"Au",
"Au",
"Au",
"Au"
] | 2023-11-16 06:57:59 | [
0.3,
0.2,
0.5
] | [
[
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0,
0.00108215
],
[
0,
4.5099826,
0
],
[
0.00108215,
0,
4.6910844
]
] | -95.767673 | [
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0.012,
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0.011,
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0.007,
0.011,
0.007,
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0.011,
0.012,
0.005,
0.011,
0.01,
0.005,
0.01,
0.011
] | [
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[
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[
0.00502411,
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[
0.00229482,
0.0020188... | 22.68932 | 50.99053 | pbe | true | f3249186feec770e1c576670c5227bb5_36_Pu4Zn10Au6 |
[
"Au",
"Re",
"Se"
] | 4 | A2BC | AuRe2Se | Re2 Au1 Se1 | 3 | [
1,
1,
1
] | 3 | [
[
9.69423669,
0.0395666,
0.02321323
],
[
9.24709945,
2.9104883,
0.02321323
],
[
9.24709945,
1.44020733,
2.52928525
]
] | agm003854532 | [
[
20.90975249267232,
3.256629702422859,
1.9106237441457739
],
[
27.920967645713795,
4.348604919512289,
2.551271889139845
],
[
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1.1029447701999298,
0.6470838440297946
],
[
14.558721776522884,
2.2674761828649217,
1.3302997976845863
]
] | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Au", "attached"... | [
"Au",
"Re",
"Re",
"Se"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
0.13445088,
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],
[
0.04431076,
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0.00404888
],
[
0.02599656,
0.00404888,
-0.14767852
]
] | -30.502653 | [
0,
0,
0,
0
] | [
[
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[
0.00315542,
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],
[
0.00030294,
0.00004718,
0.00002768
],
[
-0.00145293,
-0.00022629,
-0.00013276
]
] | -0 | 1.685791 | pbe | true | 766c2495215462b3357b72e3d69c20f3_160_Re2Au1Se1 |
[
"Au",
"Ru",
"Sr"
] | 4 | A2BC | AuRuSr2 | Sr2 Ru1 Au1 | 3 | [
1,
1,
1
] | 3 | [
[
5.25651824,
0,
0
],
[
2.62825912,
4.55227833,
0
],
[
2.62825912,
1.51742611,
4.29192917
]
] | agm002189345 | [
[
7.88477736,
4.55227833,
3.2189468775000005
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[
2.62825912,
1.51742611,
1.0729822925
],
[
0,
0,
0
],
[
5.25651824,
3.03485222,
2.145964585
]
] | [{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Au", "attached"... | [
"Ru",
"Au",
"Sr",
"Sr"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
4.546222,
0,
0
],
[
0,
4.546222,
0
],
[
0,
0,
4.546222
]
] | -15.570689 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000012 | 4.950381 | pbe | true | c40bbf03d82784c2b76c6df4b7bb772a_225_Sr2Ru1Au1 |
[
"Au",
"Ru",
"Y"
] | 3 | ABC | AuRuY | Y1 Ru1 Au1 | 3 | [
1,
1,
1
] | 3 | [
[
3.33568753,
0,
0
],
[
-1.66784377,
2.88879014,
0
],
[
0,
0,
6.4499213
]
] | agm003903485 | [
[
0,
0,
0.079406142110134
],
[
1.6678437800117711,
0.9629300370373661,
2.185362270366787
],
[
-2.0011771069011146e-8,
1.9258601029626337,
4.185152758524652
]
] | [{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}, {"mass": null, "name": "Au", "attached": ... | [
"Au",
"Ru",
"Y"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
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0,
0
],
[
0,
4.978522,
0
],
[
0,
0,
4.94017
]
] | -18.50096 | [
0,
0,
0
] | [
[
0,
0,
-0.00120275
],
[
0,
0,
-0.00485708
],
[
0,
0,
0.00605983
]
] | 0.000112 | 3.266429 | pbe | true | d4c14434072303128a29295b0453514d_156_Y1Ru1Au1 |
[
"Au",
"S",
"Sc"
] | 8 | A2BC | AuS2Sc | Sc2 Au2 S4 | 3 | [
1,
1,
1
] | 3 | [
[
3.84606224,
-0.00050729,
-0.00033431
],
[
0.00202786,
7.04830866,
0.00119256
],
[
0.00271226,
5.80715561,
6.50737744
]
] | agm003138779 | [
[
2.3422795112446924,
6.423043069504713,
5.022605816023981
],
[
0.5618001479487705,
7.044335375681162,
1.7693718254022808
],
[
2.443573385568488,
5.920140033049632,
0.42285469895321115
],
[
2.4440662365858006,
8.166858893654599,
3.1158596305587976
],
[... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Au", "attached": ... | [
"Sc",
"Sc",
"S",
"S",
"S",
"S",
"Au",
"Au"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
2.1619017,
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-0.0061316
],
[
-0.01690127,
2.4421082,
-0.01177812
],
[
-0.00613159,
-0.01177823,
2.1795924
]
] | -45.119009 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00280644,
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[
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0.00036051
],
[
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0.00042667,
0.00087059
],
[
-0.00168807,
0.00077479,
-0.00091217
],
[
0.00273733,
0.0003246,
-0.00055804
],
[
0.00160721,
-0.0006... | 0 | 0 | pbe | true | 4258ce3c3edb5ca0544850661bc5bce3_13_Sc2Au2S4 |
[
"Au",
"Sb",
"Tm"
] | 9 | A6B2C | AuSb2Tm6 | Tm6 Sb2 Au1 | 3 | [
1,
1,
1
] | 3 | [
[
4.05966056,
0,
0
],
[
0,
8.26076811,
0
],
[
0,
-4.13038405,
7.15403503
]
] | agm002238196 | [
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2.02983028,
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4.76935671051345
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[
2.02983028,
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[
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4.296404098543303... | [{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Au", "attached"... | [
"Sb",
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"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Au"
] | 2023-11-16 06:57:59 | [
0.1111111111111111,
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] | [
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[
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[
0,
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] | -44.651548 | [
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0.089,
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[
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[
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0.0169... | 0.871854 | 8.136038 | pbe | true | c0dd088b07ccaeb1af1477da4cfedb85_189_Tm6Sb2Au1 |
[
"Au",
"Sb",
"Zn"
] | 4 | A2BC | Au2SbZn | Zn1 Sb1 Au2 | 3 | [
1,
1,
1
] | 3 | [
[
4.75123405,
-0.04892412,
0.00294168
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[
3.19070311,
3.52079994,
0.00294168
],
[
0.87684421,
0.38331885,
4.96371393
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] | agm004395429 | [
[
7.977798052081207,
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[
6.590014224799552,
2.880872838203723,
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2.5750628188449713
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2.343408106857713,
1.0244379651727806,
0.6739306472672759
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] | [{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Au", "attached"... | [
"Au",
"Au",
"Sb",
"Zn"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
3.876563,
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[
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4.0618753,
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],
[
0.01650625,
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3.7150328
]
] | -12.043687 | [
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0,
0
] | [
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[
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[
0.00167124,
0.00073059,
0.00187973
],
[
-0.00026151,
-0.00011432,
-0.00459234
]
] | 0 | 1.640456 | pbe | true | 98104d82b46712be07fc8d34c7412fc0_8_Zn1Sb1Au2 |
[
"Au",
"Tl",
"Tm"
] | 12 | A7B4C | Au4TlTm7 | Tm7 Tl1 Au4 | 3 | [
1,
1,
1
] | 3 | [
[
5.53594805,
0,
0
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[
2.76797402,
8.18080996,
0.39394723
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[
2.76797403,
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] | agm003667369 | [
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[
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3.4235531154342858,
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[
... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Au", "attached"... | [
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tl",
"Au",
"Au",
"Au",
"Au"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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0.5833333333333334
] | [
[
2.1216931,
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0
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[
0,
1.9401482,
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],
[
0,
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]
] | -52.030318 | [
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0,
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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 | 9.161597 | pbe | true | a05541241513d453d6b78f7bb106b719_12_Tm7Tl1Au4 |
[
"B",
"Ba",
"Co"
] | 9 | A6B2C | B6BaCo2 | Ba1 Co2 B6 | 3 | [
1,
1,
1
] | 3 | [
[
3.17515887,
-0.00020181,
-0.00014982
],
[
1.58823473,
5.35238418,
-0.15158821
],
[
1.58823474,
1.40372204,
5.16725845
]
] | agm002257155 | [
[
3.175594988846095,
1.149905953457973,
2.7163246219714927
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[
3.176037860901821,
5.6059827982663775,
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4.700812213117684
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[
3.175816279788712,
3.8881977861575705,
1.8204552669140872
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[... | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "B", "attached":... | [
"B",
"B",
"B",
"B",
"B",
"B",
"Co",
"Co",
"Ba"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.1111111111111111,
0.2222222222222222
] | [
[
1.4201865,
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0.00239136
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[
0.00322099,
1.5347453,
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],
[
0.00239124,
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]
] | -57.407852 | [
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0,
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] | [
[
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[
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[
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[
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[
1.7e-7,
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[
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... | -0.000018 | 3.439594 | pbe | true | 95ed03907ed8bba4e08496683484705e_71_Ba1Co2B6 |
[
"B",
"Ba",
"Ir"
] | 4 | A2BC | BBa2Ir | Ba2 B1 Ir1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.77892278,
3.77892278
],
[
3.77892278,
0,
3.77892278
],
[
3.77892278,
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0
]
] | agm002638615 | [
[
0,
0,
0
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[
3.77892278,
3.77892278,
3.77892278
],
[
1.88946139,
1.88946139,
1.88946139
],
[
5.6683841699999995,
5.6683841699999995,
5.6683841699999995
]
] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "B", "attached":... | [
"B",
"Ir",
"Ba",
"Ba"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
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0,
0
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[
0,
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0
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[
0,
0,
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]
] | -16.449025 | [
0,
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0
] | [
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0 | 2.303307 | pbe | true | 979ca681fa4b4f3b65d757370cdff7e9_225_Ba2B1Ir1 |
[
"B",
"Ba",
"N"
] | 22 | A5B3C3 | B3Ba3N5 | Ba6 B6 N10 | 3 | [
1,
1,
1
] | 3 | [
[
6.67256087,
0.00548289,
-0.00189724
],
[
-0.16578266,
7.38069769,
-0.00334402
],
[
-1.44757094,
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7.52697011
]
] | agm005266861 | [
[
4.098728704269153,
6.3500518487574995,
2.740208973943842
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[
0.960478565730847,
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[
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1.0560031992463563
],
[
4.55315305757639,
3.8612541910649574,
6.465725650753644
],
[
... | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "N", "attached": n... | [
"Ba",
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"B",
"B",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.2727272727272727,
0.2727272727272727,
0.45454545454545453
] | [
[
0.2656627,
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[
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0.28366974,
0.05973197
],
[
0.0397318,
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] | -155.905391 | [
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0,
0,
0,
0,
0,
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0,
0
] | [
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[
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[
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[
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0.00106502
],
[
0.00038968,
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0.00043317
],
[
-0.00038968,
0.0003... | 0 | 0 | pbe | true | d87ac58fbf915f9c6165da5d06a70cfc_2_Ba6B6N10 |
[
"B",
"Be",
"Se"
] | 5 | A3BC | BBeSe3 | Be1 B1 Se3 | 3 | [
1,
1,
1
] | 3 | [
[
4.43083516,
0,
0
],
[
0,
4.43083516,
0
],
[
0,
0,
4.43083516
]
] | agm002418293 | [
[
2.21541758,
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2.21541758
],
[
0,
0,
0
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[
0,
2.21541758,
0
],
[
0,
0,
2.21541758
],
[
2.21541758,
0,
0
]
] | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "B", "attached":... | [
"Be",
"B",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
0.44173157,
0,
0
],
[
0,
0.44173157,
0
],
[
0,
0,
0.44173157
]
] | -16.072275 | [
0,
0,
0,
0,
0
] | [
[
0,
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[
0,
0,
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 2.605659 | pbe | true | 1fb618f56e8f5159e524ba98cc79d003_221_Be1B1Se3 |
[
"B",
"Be",
"Sn"
] | 5 | A3BC | BBeSn3 | Be1 Sn3 B1 | 3 | [
1,
1,
1
] | 3 | [
[
4.80391251,
0,
0
],
[
0,
4.80391251,
0
],
[
0,
0,
4.80391251
]
] | agm002423675 | [
[
2.401956255,
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2.401956255
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[
0,
0,
0
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[
0,
2.401956255,
0
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[
0,
0,
2.401956255
],
[
2.401956255,
0,
0
]
] | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "B", "attached":... | [
"Be",
"B",
"Sn",
"Sn",
"Sn"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
-3.0525928,
0,
0
],
[
0,
-3.0525928,
0
],
[
0,
0,
-3.0525928
]
] | -17.684579 | [
0,
0,
0,
-0.001,
0
] | [
[
0,
0,
0
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[
0,
0,
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0 | 2.78304 | pbe | true | 483b8888cf15d31b735282f1992e0684_221_Be1Sn3B1 |
[
"B",
"Bi",
"Br"
] | 5 | A3BC | BBiBr3 | Bi1 B1 Br3 | 3 | [
1,
1,
1
] | 3 | [
[
4.87091591,
0,
0
],
[
0,
4.87091591,
0
],
[
0,
0,
4.87091591
]
] | agm005408192 | [
[
2.435457955,
2.435457955,
2.435457955
],
[
0,
0,
0
],
[
0,
2.435457955,
0
],
[
0,
0,
2.435457955
],
[
2.435457955,
0,
0
]
] | [{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "B", "attached":... | [
"Bi",
"B",
"Br",
"Br",
"Br"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
0.42838317,
0,
0
],
[
0,
0.42838317,
0
],
[
0,
0,
0.42838317
]
] | -13.064722 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000047 | 3.64998 | pbe | true | 0a399f5402966f1dab9367947f9cee8c_221_Bi1B1Br3 |
[
"B",
"Bi",
"Pt"
] | 10 | A3BC | BBiPt3 | Bi2 B2 Pt6 | 3 | [
1,
1,
1
] | 3 | [
[
5.58658826,
-0.01544728,
0.02366218
],
[
-1.2155823,
5.78918805,
-0.01783243
],
[
1.04397969,
-1.36946032,
5.39780985
]
] | agm003039225 | [
[
3.6554556089862134,
-0.2728634780223335,
4.789272903210868
],
[
1.9097539197541815,
4.9152400218496215,
1.703648957096094
],
[
4.246213327827841,
2.7269300842688224,
2.2148283295899085
],
[
1.318806916123034,
1.9152838500837475,
4.2775815383967615
],
... | [{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Pt", "attached": ... | [
"B",
"B",
"Bi",
"Bi",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
1.7459481,
0.86963564,
-0.5886363
],
[
0.86963564,
-2.838778,
-0.32062268
],
[
-0.58863616,
-0.3206227,
-0.00823215
]
] | -59.411112 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
-0.02249925,
-0.03202967,
-0.00857262
],
[
0.0228095,
0.03191289,
0.00836205
],
[
-0.00057503,
0.01750327,
-0.00410469
],
[
0.00062241,
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0.00417267
],
[
-0.01484639,
-0.0188717,
0.01838703
],
[
0.02055561,
0.010787... | 0 | 3.494391 | pbe | true | e48e3f7fbbe88ea41c922050d373fac8_2_Bi2B2Pt6 |
[
"B",
"Ca",
"P"
] | 5 | A3BC | BCaP3 | Ca1 B1 P3 | 3 | [
1,
1,
1
] | 3 | [
[
5.18480493,
0,
0
],
[
0,
5.18480493,
0
],
[
0,
0,
5.18480493
]
] | agm002411617 | [
[
0,
2.592402465,
0
],
[
0,
0,
2.592402465
],
[
2.592402465,
0,
0
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[
0,
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[
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] | [{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "P", "attached": n... | [
"P",
"P",
"P",
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] | 2023-11-16 06:57:59 | [
0.2,
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0.6
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[
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[
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] | -14.916837 | [
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] | 0 | 3.464242 | pbe | true | cdb053c94bc6fc874f6af1a756d6f215_221_Ca1B1P3 |
[
"B",
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] | 10 | A3BC | BCaNi3 | Ca2 Ni6 B2 | 3 | [
1,
1,
1
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... | [{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Ni", "attached": ... | [
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... | 0 | 6.041798 | pbe | true | 760c2c7523c600f9169555fc05a9e105_71_Ca2Ni6B2 |
[
"B",
"Ca",
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] | 4 | A2BC | BCa2Sc | Ca2 Sc1 B1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.60102982,
3.60102982
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[
3.60102982,
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[
3.60102982,
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] | agm002642602 | [
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] | [{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Sc", "attached": ... | [
"Sc",
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] | 0.000017 | 5.6727 | pbe | true | 3a559435fb66b39835de958bae6798ae_225_Ca2Sc1B1 |
[
"B",
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] | 8 | A2BC | BCa2Sr | Sr2 Ca4 B2 | 3 | [
1,
1,
1
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[
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[
0,
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[
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[
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"Sr",
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] | -0 | 6.436795 | pbe | true | f30852404ced77da11a01c76913fa040_122_Sr2Ca4B2 |
[
"B",
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"Y"
] | 5 | A3BC | B3CaY | Ca1 Y1 B3 | 3 | [
1,
1,
1
] | 3 | [
[
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0
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[
0,
4.50247116,
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[
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] | agm002404167 | [
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[
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] | [{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Y", "attached": n... | [
"Y",
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"B",
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] | -19.757557 | [
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[
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[
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] | -0.000001 | 3.455625 | pbe | true | 5b20dbb5e2f0ec2b35e28159483a8272_221_Ca1Y1B3 |
[
"B",
"Cd",
"Ir"
] | 6 | ABC | BCdIr | Cd2 B2 Ir2 | 3 | [
1,
1,
1
] | 3 | [
[
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[
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[
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[
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-0.0012309... | 0.000001 | 1.377462 | pbe | true | 943da429f9614193b8b41e046c27d7e3_11_Cd2B2Ir2 |
[
"B",
"Ce",
"Tc"
] | 5 | A3BC | BCeTc3 | Ce1 Tc3 B1 | 3 | [
1,
1,
1
] | 3 | [
[
4.27085553,
0,
0
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[
0,
4.27085553,
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[
0,
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] | agm001102208 | [
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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": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "B", "attached":... | [
"B",
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] | -43.914313 | [
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[
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[
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] | 0.939503 | 11.31541 | pbe | true | a0d7db688501d0b4dacce505416cb3e2_221_Ce1Tc3B1 |
[
"B",
"Cl",
"Pm"
] | 4 | A2BC | BCl2Pm | Pm1 B1 Cl2 | 3 | [
1,
1,
1
] | 3 | [
[
3.59085843,
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[
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[
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[
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... | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Pm", "attached": ... | [
"Pm",
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[
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] | -15.597672 | [
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[
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] | -0.001086 | 3.426829 | pbe | true | e83419f23edbb9dcc577023a82a4a421_1_Pm1B1Cl2 |
[
"B",
"Co",
"Ga"
] | 10 | A3BC | BCo3Ga | Ga2 Co6 B2 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
5.28730313,
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[
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[
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[
1.0... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Ga", "attached": ... | [
"Ga",
"Ga",
"Co",
"Co",
"Co",
"Co",
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] | 2023-11-16 06:57:59 | [
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[
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[
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] | -63.52071 | [
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... | 2.976766 | 8.944335 | pbe | true | 0823780760721e79b4e3d8662e10f131_194_Ga2Co6B2 |
[
"B",
"Co",
"Ge"
] | 7 | A4B2C | BCo4Ge2 | Co4 Ge2 B1 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
],
[
0,
3.73056941,
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[
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] | agm001075109 | [
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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": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "B", "attached":... | [
"Ge",
"Ge",
"B",
"Co",
"Co",
"Co",
"Co"
] | 2023-11-16 06:57:59 | [
0.14285714285714285,
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[
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] | -44.327467 | [
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[
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[
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] | 0.006728 | 5.822258 | pbe | true | 4d8e2c7300ab79be6ce1e6be15b303ab_139_Co4Ge2B1 |
[
"B",
"Co",
"Ho"
] | 18 | A4B4C | B4Co4Ho | Ho2 Co8 B8 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
4.99881661,
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[
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] | agm003592826 | [
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[
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[
2.4994... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "B", "attached":... | [
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] | 2023-11-16 06:57:59 | [
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-0.00... | -0.000309 | 12.570069 | pbe | true | c92f29529cff9675923d638497978e85_137_Ho2Co8B8 |
[
"B",
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1,
1,
1
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[
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[
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1,
1,
1
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[
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1,
1,
1
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[
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1,
1
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[
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1
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[
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[
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[
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... | -0.000002 | 1.731548 | pbe | true | e4e2f221e8f3bbff801e069bab3e853d_62_Zr4Cu4B4 |
[
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1,
1,
1
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... | 0.000027 | 3.384726 | pbe | true | 2596e1edeea15d176b835ce458754177_71_Dy1Re2B6 |
[
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1
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0.002... | 0.000007 | 5.506874 | pbe | true | 6a6e3c4b801ab03b1ec3d152f0f9247a_71_Dy3Re3B8 |
[
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1,
1
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... | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Sm", "attached": ... | [
"Sm",
"Dy",
"Dy",
"B",
"B",
"B",
"B",
"B",
"B"
] | 2023-11-16 06:57:59 | [
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... | 0.000007 | 2.52471 | pbe | true | 9789011cf1e4dfb1b58e52b6ba7852cd_191_Sm1Dy2B6 |
[
"B",
"Er",
"Pt"
] | 3 | ABC | BErPt | Er1 B1 Pt1 | 3 | [
1,
1,
1
] | 3 | [
[
4.02717262,
0,
0
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[
0,
3.78990148,
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0,
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] | agm001415160 | [
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] | [{"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Pt", "attached": ... | [
"B",
"Pt",
"Er"
] | 2023-11-16 06:57:59 | [
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] | -0.000016 | 2.760021 | pbe | true | 1f4affd9cb076223799a1edc030a94a7_187_Er1B1Pt1 |
[
"B",
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"Gd"
] | 9 | A6B2C | B6Fe2Gd | Gd1 Fe2 B6 | 3 | [
1,
1,
1
] | 3 | [
[
3.1466964,
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[
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... | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "B", "attached":... | [
"B",
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] | 2023-11-16 06:57:59 | [
0.6666666666666666,
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[
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]... | 6.798168 | 3.567622 | pbe | true | e698f0f041411137ceb5828d64ec676d_71_Gd1Fe2B6 |
[
"B",
"Er",
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] | 6 | A4BC | B4ErTh | B4 Er1 Th1 | 3 | [
1,
1,
1
] | 3 | [
[
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1.65408179,
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[
1.65408179,
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[
4.9001780463445774e-... | [{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Th", "attached": ... | [
"B",
"B",
"B",
"B",
"Er",
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] | 2024-11-01 00:00:00 | [
0.6666666666666666,
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] | 0.003721 | null | pbe | true | 6cbf22c31a46664c2ac0548bff051325_71_Er1Th1B4 |
[
"B",
"F",
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] | 8 | A2BC | BFSi2 | Si4 B2 F2 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
4.89849391,
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[
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[
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2.44... | [{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Si", "attached": nu... | [
"Si",
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] | -39.176345 | [
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[
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[
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] | 0 | 1.854955 | pbe | true | a6876767ff7eee8cbb4bed6f13e2ab2c_122_Si4B2F2 |
[
"B",
"Fe",
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] | 14 | A4B2C | B2FeRh4 | Fe2 B4 Rh8 | 3 | [
1,
1,
1
] | 3 | [
[
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1.30921078,
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[
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[
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[
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... | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "B", "attached":... | [
"B",
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"B",
"B",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"Fe",
"Fe"
] | 2023-11-16 06:57:59 | [
0.2857142857142857,
0.14285714285714285,
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[
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[
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0.000293... | 7.988309 | 10.029445 | pbe | true | 146207be6dbf98fbf5852130fda7adfa_9_Fe2B4Rh8 |
[
"B",
"Fe",
"Th"
] | 6 | A4BC | BFe4Th | Th1 Fe4 B1 | 3 | [
1,
1,
1
] | 3 | [
[
3.94243946,
0,
0
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[
0,
3.94243946,
0
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[
0,
0,
5.47535815
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] | agm002361265 | [
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[
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[
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2.738007651242581... | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "B", "attached":... | [
"B",
"Fe",
"Fe",
"Fe",
"Fe",
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] | 2023-11-16 06:57:59 | [
0.16666666666666666,
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[
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[
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] | -48.085862 | [
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[
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[
0,
0,
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[
0,
0,
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] | 7.570817 | 4.298047 | pbe | true | fed8c3a73ce76e06150ff5b7801c17d0_123_Th1Fe4B1 |
[
"B",
"Ga",
"K"
] | 4 | A2BC | BGaK2 | K2 Ga1 B1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.87449681,
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[
3.87449681,
0,
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[
3.87449681,
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] | agm002641384 | [
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[
0,
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0
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[
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] | [{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Ga", "attached": nu... | [
"K",
"K",
"B",
"Ga"
] | 2023-11-16 06:57:59 | [
0.25,
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0.5
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[
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[
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] | -7.472335 | [
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[
0,
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[
0,
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[
0,
0,
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]
] | 0.000012 | 3.804992 | pbe | true | 1d3acb6dee2b337bacef911f57087caf_225_K2Ga1B1 |
[
"B",
"Gd",
"V"
] | 4 | A2BC | B2GdV | Gd1 V1 B2 | 3 | [
1,
1,
1
] | 3 | [
[
3.59002808,
0,
0
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[
1.79501404,
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0
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[
1.79501404,
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] | agm001980465 | [
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[
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[
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] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "V", "attached": n... | [
"B",
"B",
"Gd",
"V"
] | 2023-11-16 06:57:59 | [
0.5,
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[
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[
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] | -36.52571 | [
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[
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[
0,
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[
0,
0,
0
]
] | -7.095965 | 2.556018 | pbe | true | a830e406f1092da7ab55f27409d53555_166_Gd1V1B2 |
[
"B",
"Ga",
"Rb"
] | 6 | ABC | BGaRb | Rb2 Ga2 B2 | 3 | [
1,
1,
1
] | 3 | [
[
3.17939532,
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0.00036838
],
[
-0.05083818,
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[
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] | agm002106674 | [
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[
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[
... | [{"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Ga", "attached": ... | [
"B",
"B",
"Ga",
"Ga",
"Rb",
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] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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[
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] | -20.341647 | [
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] | [
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[
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[
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[
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[
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[
0.00129505,
-0.0017... | 0.00001 | 1.157035 | pbe | true | d5d114f38b419d2c3a141412dff1a7af_2_Rb2Ga2B2 |