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 ⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"Ga",
"In",
"V"
] | 16 | A2BC | GaIn2V | V4 In8 Ga4 | 3 | [
1,
1,
1
] | 3 | [
[
5.6034852,
0,
0.00094817
],
[
0,
12.84965712,
0
],
[
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] | agm002029394 | [
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] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}] | [
"V",
"V",
"V",
"V",
"Ga",
"Ga",
"Ga",
"Ga",
"In",
"In",
"In",
"In",
"In",
"In",
"In",
"In"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
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[
5.687557,
0,
0.15358801
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[
0,
5.8977814,
0
],
[
0.15358737,
0,
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] | -69.119903 | [
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-0.001,
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0,
0.00083765
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[
0.00080817,
0,
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]
] | 0.130977 | 10.046941 | pbe | true | 17c1c6892a8e7bacad46e2e742c28e88_12_V4In8Ga4 |
[
"Ga",
"Ir",
"Li"
] | 10 | A2B2C | Ga2Ir2Li | Li2 Ga4 Ir4 | 3 | [
1,
1,
1
] | 3 | [
[
7.25101684,
0,
0
],
[
0,
7.25101684,
0
],
[
0,
0,
2.89077698
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] | agm002990617 | [
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] | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Ir",
"Ir",
"Ir",
"Ir",
"Ga",
"Ga",
"Ga",
"Ga",
"Li",
"Li"
] | 2023-11-16 06:57:59 | [
0.4,
0.4,
0.2
] | [
[
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0
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[
0,
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[
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] | -55.913112 | [
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0
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0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000003 | 2.368672 | pbe | true | d75bd7ca7e2ecac7bacb82f5fdf66999_127_Li2Ga4Ir4 |
[
"Ga",
"Ir",
"Sc"
] | 8 | A4B3C | Ga3IrSc4 | Sc4 Ga3 Ir1 | 3 | [
1,
1,
1
] | 3 | [
[
3.47965267,
0,
0
],
[
0,
4.25634578,
0
],
[
0,
0,
10.44196846
]
] | agm003554277 | [
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] | [{"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Sc",
"Sc",
"Sc",
"Sc",
"Ga",
"Ga",
"Ga",
"Ir"
] | 2023-11-16 06:57:59 | [
0.375,
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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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] | -48.804884 | [
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0
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[
0,
0,
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[
0,
0,
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]
] | 0.000001 | 5.919907 | pbe | true | 19e7f3e29d5221649302c654958a5ff8_25_Sc4Ga3Ir1 |
[
"Ga",
"Ir",
"Tm"
] | 11 | A5B4C2 | Ga4Ir5Tm2 | Tm2 Ga4 Ir5 | 3 | [
1,
1,
1
] | 3 | [
[
5.63898794,
0,
0
],
[
2.81949397,
4.71433226,
0
],
[
2.81949397,
0,
7.54537321
]
] | agm003365873 | [
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[
4.229240955,
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[
7.048734925,
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] | [{"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Tm",
"Tm",
"Ga",
"Ga",
"Ga",
"Ga",
"Ir",
"Ir",
"Ir",
"Ir",
"Ir"
] | 2023-11-16 06:57:59 | [
0.36363636363636365,
0.45454545454545453,
0.18181818181818182
] | [
[
2.2037048,
0,
0
],
[
0,
1.7424077,
0
],
[
0,
0,
2.5799851
]
] | -71.842925 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
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0,
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[
0,
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0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | -0.000023 | 5.775013 | pbe | true | a58b46ef603291f463f5b5fb58be7fdd_69_Tm2Ga4Ir5 |
[
"Ga",
"Ir",
"Zr"
] | 17 | A7B6C4 | Ga6Ir7Zr4 | Zr4 Ga6 Ir7 | 3 | [
1,
1,
1
] | 3 | [
[
6.73184711,
0,
-2.38006739
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[
-3.36592355,
5.82995106,
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[
0,
0,
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] | agm005712632 | [
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[
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] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Zr",
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"Zr",
"Ga",
"Ga",
"Ga",
"Ga",
"Ga",
"Ga",
"Ir",
"Ir",
"Ir",
"Ir",
"Ir",
"Ir",
"Ir"
] | 2023-11-16 06:57:59 | [
0.35294117647058826,
0.4117647058823529,
0.23529411764705882
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2.5483527,
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0
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[
0,
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[
0,
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] | -126.503362 | [
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
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[
0,
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[
0,
0,
0
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[
0,
0,
0
]
] | -0.000049 | 14.582366 | pbe | true | e5236b58c9c693c98ecdd9d5a590469e_229_Zr4Ga6Ir7 |
[
"Ga",
"K",
"Os"
] | 20 | A3BC | Ga3KOs | K4 Ga12 Os4 | 3 | [
1,
1,
1
] | 3 | [
[
0,
6.75266979,
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[
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] | agm003084508 | [
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] | [{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
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"Ga",
"Ga",
"Ga",
"Ga",
"Ga",
"Ga",
"Ga",
"Ga",
"Ga",
"Ga",
"Ga",
"Ga"
] | 2023-11-16 06:57:59 | [
0.6,
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] | -86.581754 | [
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] | -0.000033 | 4.525076 | pbe | true | 90d829b37e60bda82c7da871e4b9bb3f_227_K4Ga12Os4 |
[
"Ga",
"La",
"Ni"
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1,
1,
1
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] | 0.000001 | 4.840885 | pbe | true | bc73f101fc7c812e459b12173534623c_107_La2Ga5Ni1 |
[
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1,
1,
1
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] | 0.011038 | 16.559772 | pbe | true | 96cc100477fdac811e0b18aa4624e365_140_La10Ga4Pb2 |
[
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1,
1,
1
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] | 0.389795 | 11.15977 | pbe | true | 706ae25e1b93d69b12ec7fe069b66e34_127_La4Ti2Ga4 |
[
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1,
1,
1
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0
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[
0,
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"Ga",
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"Ga",
"La",
"La",
"La",
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] | 2023-11-16 06:57:59 | [
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] | 0.000001 | 2.635188 | pbe | true | 5e3d54095a85d63803dc6a8c02b33574_62_La4Zn4Ga4 |
[
"Ga",
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1,
1,
1
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"Li",
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"Mg",
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"Mg",
"Mg",
"Mg",
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] | 2023-11-16 06:57:59 | [
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] | -0 | 4.45141 | pbe | true | fd98c6ba6a8e003cdd83ea61e4a4ad16_15_Li2Mg8Ga2 |
[
"Ga",
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] | 5 | A2B2C | Ga2LiPd2 | Li1 Ga2 Pd2 | 3 | [
1,
1,
1
] | 3 | [
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0,
0
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[
0,
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] | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Ga",
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] | 0 | 1.804503 | pbe | true | fbf6ed7c8896b4fc307c5a8f5384be45_139_Li1Ga2Pd2 |
[
"Ga",
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] | 4 | A2BC | GaLi2Ru | Li2 Ga1 Ru1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
2.93568584,
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[
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[
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] | 0 | 2.259576 | pbe | true | 7e546e23518c5847ac416fecca97a164_225_Li2Ga1Ru1 |
[
"Ga",
"Mg",
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] | 8 | A2BC | Ga2MgN | Mg2 Ga4 N2 | 3 | [
1,
1,
1
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[
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[
0,
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"Mg",
"Mg",
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"Ga",
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] | 0 | 2.280008 | pbe | true | c5d8e3361c527ac890269a50da3ea1e2_122_Mg2Ga4N2 |
[
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1,
1
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] | -0.000059 | 3.718526 | pbe | true | b07776cf2b18e721ed72aadee2686ce4_129_Na2Mg2Ga2 |
[
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1,
1
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] | -0 | 1.203249 | pbe | true | 7b937ef4492056fa485706be9c3a7ce3_194_Nd2Mg2Ga2 |
[
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1,
1,
1
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"Np",
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"Np",
"Mg",
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"Ga",
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] | 2023-11-16 06:57:59 | [
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] | 12.707178 | 21.949831 | pbe | true | 0310c1216d9761a9259d56751e51ba6e_189_Mg3Np3Ga3 |
[
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1,
1,
1
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"Mg",
"Ga",
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"Pd",
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] | 2023-11-16 06:57:59 | [
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] | 0.000001 | 1.8328 | pbe | true | ee6a9f3245634455fbcb8a0913c0a2e3_123_Mg1Ga2Pd3 |
[
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1,
1,
1
] | 3 | [
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[
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] | 2023-11-16 06:57:59 | [
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[
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] | 0 | 2.703914 | pbe | true | ce5b98db1d0875effc94a2544aaf892d_123_Mg2Ga8Pd1 |
[
"Ga",
"Mg",
"Pm"
] | 7 | A4B2C | Ga2Mg4Pm | Pm1 Mg4 Ga2 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
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[
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"Pm",
"Mg",
"Mg",
"Mg",
"Mg",
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] | -0.000002 | 3.256934 | pbe | true | 36d8f39ac9d71b379bcc510c5e9a8c22_65_Pm1Mg4Ga2 |
[
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"Sr"
] | 16 | A2BC | Ga2MgSr | Sr4 Mg4 Ga8 | 3 | [
1,
1,
1
] | 3 | [
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0,
0
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[
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0.0013501
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[
0,
0.00386099,
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],
[
0,
-0.00386099,
-0.0013501
],
[
0,
0.00386099,
-0.0013501
]
] | 0.000027 | 8.14449 | pbe | true | 2047a288bcca2ab7e80456e579f086e2_62_Sr4Mg4Ga8 |
[
"Ga",
"Mg",
"Zn"
] | 8 | A6BC | GaMg6Zn | Mg6 Zn1 Ga1 | 3 | [
1,
1,
1
] | 3 | [
[
4.46943609,
0.00016775,
1.34578409
],
[
-0.40557606,
4.45068992,
1.34622606
],
[
-0.08287729,
-0.09174763,
8.36946086
]
] | agm005765088 | [
[
3.0039771911613062,
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6.211745048136794
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[
2.61392533154742,
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[
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[
0,
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] | [{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Zn",
"Ga"
] | 2023-11-16 06:57:59 | [
0.125,
0.75,
0.125
] | [
[
2.272123,
0.02176485,
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],
[
0.02176485,
2.2759547,
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],
[
-0.06598455,
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2.4712987
]
] | -14.21709 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00091213,
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[
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0.00294451
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[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 3.809023 | pbe | true | cf838c0b3c6b91de1de958e9b93610cc_139_Mg6Zn1Ga1 |
[
"Ga",
"Mn",
"Mo"
] | 4 | A2BC | Ga2MnMo | Mn1 Ga2 Mo1 | 3 | [
1,
1,
1
] | 3 | [
[
2.83579696,
0,
0
],
[
1.41789848,
2.45587221,
0
],
[
1.41789848,
0.81862407,
8.59544896
]
] | agm005117397 | [
[
2.83579696,
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[
1.417898494178985,
0.8186240781862407,
6.373290232356455
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[
1.4178984658210152,
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2.228979302347795
],
[
2.83579554210152,
1.63724732137593,
0.007375754752576001
]
] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Mn",
"Ga",
"Ga",
"Mo"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
5.5798254,
0,
0
],
[
0,
5.5798254,
0
],
[
0,
0,
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]
] | -26.026952 | [
2.866,
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0.059
] | [
[
0,
0,
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[
0,
0,
0.00120961
],
[
0,
0,
-0.00029537
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[
0,
0,
0.00135495
]
] | 2.915291 | 3.197028 | pbe | true | c9e5c388892c2c22a363acf9924e349d_160_Mn1Ga2Mo1 |
[
"Ga",
"Mn",
"N"
] | 5 | A3BC | Ga3MnN | Mn1 Ga3 N1 | 3 | [
1,
1,
1
] | 3 | [
[
4.19165677,
0,
0
],
[
0,
4.19165677,
0
],
[
0,
0,
4.19165677
]
] | agm002532897 | [
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0,
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[
0,
0,
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[
2.095828385,
0,
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[
0,
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0
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] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Mn",
"Ga",
"Ga",
"Ga",
"N"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
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0
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[
0,
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[
0,
0,
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] | -22.538576 | [
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[
0,
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0,
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | -0.000337 | 7.347636 | pbe | true | 7901b79dc516d561c576abc65d1502ec_221_Mn1Ga3N1 |
[
"Ga",
"Mn",
"Ni"
] | 7 | A5BC | GaMnNi5 | Mn1 Ga1 Ni5 | 3 | [
1,
1,
1
] | 3 | [
[
3.54473,
0,
0
],
[
0,
3.54477173,
0
],
[
0,
0,
6.85781829
]
] | agm005761950 | [
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[
0,
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[
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] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Mn",
"Ga",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni"
] | 2023-11-16 06:57:59 | [
0.14285714285714285,
0.14285714285714285,
0.7142857142857143
] | [
[
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0,
0
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[
0,
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0
],
[
0,
0,
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]
] | -41.538257 | [
2.951,
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0.103,
0.103,
0.103,
0.103,
0.234
] | [
[
0,
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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
]
] | 3.519821 | 9.969513 | pbe | true | fc1424d27f6f0d49ac4f325d2c3a9bc1_123_Mn1Ga1Ni5 |
[
"Ga",
"Mn",
"Pb"
] | 4 | A2BC | GaMn2Pb | Mn2 Ga1 Pb1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.27769362,
3.27769362
],
[
3.27769362,
0,
3.27769362
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[
3.27769362,
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0
]
] | agm002700449 | [
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[
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1.63884681,
1.63884681
],
[
4.9165404299999995,
4.9165404299999995,
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[
0,
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] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"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"]}] | [
"Pb",
"Mn",
"Mn",
"Ga"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
5.512093,
0,
0
],
[
0,
5.512093,
0
],
[
0,
0,
5.512093
]
] | -23.442277 | [
0.074,
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-3.3,
0.102
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
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[
0,
0,
0
]
] | -6.610576 | 7.594491 | pbe | true | 0730e4713f33c0e96e6e330bd6508c14_225_Mn2Ga1Pb1 |
[
"Ga",
"Mn",
"Pd"
] | 11 | A7B2C2 | Ga2Mn2Pd7 | Mn2 Ga2 Pd7 | 3 | [
1,
1,
1
] | 3 | [
[
5.26665615,
-0.00430747,
-1.14264518
],
[
0.00136706,
7.12418295,
0.00603149
],
[
-1.46855667,
0.00151604,
5.18523504
]
] | agm003320943 | [
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3.4160487175278305,
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[
0.3834178224721698,
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[
1.8984523968033955,
1.495113778281851,
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] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Mn",
"Mn",
"Ga",
"Ga",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.18181818181818182,
0.18181818181818182,
0.6363636363636364
] | [
[
8.626781,
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[
0.01835925,
8.836843,
0.02004368
],
[
-0.01488921,
0.02004397,
8.62392
]
] | -61.961176 | [
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3.853,
-0.006,
-0.006,
0.135,
0.135,
0.135,
0.135,
0.293,
0.132,
0.132
] | [
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[
0.00024111,
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[
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[
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[
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[
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[
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[
0,
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[
-0.00118317,
0.00144083,
0.00084045
],
[
0.00118317,
-0.00144083,
-0.00084045
]
] | 9.131439 | 6.123931 | pbe | true | 500c229686818030f80b34591453b8a5_65_Mn2Ga2Pd7 |
[
"Ga",
"Mn",
"Tm"
] | 13 | A6B6C | Ga6Mn6Tm | Tm1 Mn6 Ga6 | 3 | [
1,
1,
1
] | 3 | [
[
4.80334598,
1e-8,
1.91989368
],
[
2.37647459,
6.06707462,
1.02299157
],
[
0.14992038,
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6.59356281
]
] | agm006097652 | [
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[
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[
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[
5.35873042849238,
4.856826026519837,
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]
] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Tm",
"Mn",
"Mn",
"Mn",
"Mn",
"Mn",
"Mn",
"Ga",
"Ga",
"Ga",
"Ga",
"Ga",
"Ga"
] | 2023-11-16 06:57:59 | [
0.46153846153846156,
0.46153846153846156,
0.07692307692307693
] | [
[
5.489349,
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[
-0.11531215,
5.758873,
0.28849852
],
[
-0.11367574,
0.28849852,
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]
] | -80.396269 | [
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2.09,
2.09,
2.09,
2.09,
-2.187,
-2.187,
-0.013,
-0.013,
-0.021,
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] | [
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0,
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[
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[
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[
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[
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[
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[
0.00004915,
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-0.00012296
],
[
-0.00004915,
0.00012929,
0.00012296
]
] | 3.870673 | 11.305277 | pbe | true | 429519c07030705c9c7cc264a6283347_71_Tm1Mn6Ga6 |
[
"Ga",
"Mo",
"Nb"
] | 6 | ABC | GaMoNb | Nb2 Ga2 Mo2 | 3 | [
1,
1,
1
] | 3 | [
[
3.30936546,
0.00620826,
-0.00063167
],
[
0.00396211,
5.51531964,
0.10237216
],
[
-1.65637891,
-2.65677429,
5.54851771
]
] | agm003600049 | [
[
1.4535107950271156,
2.304808951339616,
3.1484584534300093
],
[
-0.18603272077169192,
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[
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],
[
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4.994056322742524
]
] | [{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Nb",
"Nb",
"Ga",
"Ga",
"Mo",
"Mo"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
3.4789383,
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],
[
-0.03200204,
2.9934554,
0.02813921
],
[
-0.00000686,
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3.1732435
]
] | -48.369343 | [
0,
0,
0,
0,
0,
0
] | [
[
0.0020329,
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],
[
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[
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[
0.00346546,
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[
0.00224222,
-0.002967,
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],
[
-0.00177044,
0.00152237,
0.00055894
]
] | 0 | 3.157608 | pbe | true | 9428e67fb5df94ff027d7129416aad68_2_Nb2Ga2Mo2 |
[
"Gd",
"Na",
"Pr"
] | 3 | ABC | GdNaPr | Na1 Pr1 Gd1 | 3 | [
1,
1,
1
] | 3 | [
[
3.62299651,
0,
0
],
[
-1.81149825,
3.13760701,
0
],
[
0,
0,
9.29119596
]
] | agm001279172 | [
[
-1.478164937464785e-8,
2.0917380171253566,
6.051757122589553
],
[
0,
0,
0.0206656638781512
],
[
1.8114982747816493,
1.0458689928746432,
3.2187731735322958
]
] | [{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}] | [
"Pr",
"Na",
"Gd"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
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0,
0
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[
0,
1.087783,
0
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[
0,
0,
1.093955
]
] | -19.855656 | [
0,
0.002,
7.231
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[
0,
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[
0,
0,
0.00365802
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[
0,
0,
0.00452305
]
] | 7.632206 | 3.672327 | pbe | true | e6b4d13411c1e1bc6fe3b276ffc93189_156_Na1Pr1Gd1 |
[
"Ga",
"Mo",
"Rb"
] | 4 | A2BC | Ga2MoRb | Rb1 Ga2 Mo1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.6091788,
3.6091788
],
[
3.6091788,
0,
3.6091788
],
[
3.6091788,
3.6091788,
0
]
] | agm002676737 | [
[
3.6091788,
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3.6091788
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[
1.8045894,
1.8045894,
1.8045894
],
[
5.4137682,
5.4137682,
5.4137682
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Mo",
"Ga",
"Ga",
"Rb"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
1.7415396,
0,
0
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[
0,
1.7415396,
0
],
[
0,
0,
1.7415396
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] | -14.08877 | [
2.641,
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0.014
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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
]
] | 3.125351 | 3.551817 | pbe | true | 329952e7c87704b8965f8017958a9f52_225_Rb1Ga2Mo1 |
[
"Ga",
"Mo",
"Zn"
] | 5 | A3BC | GaMo3Zn | Zn1 Ga1 Mo3 | 3 | [
1,
1,
1
] | 3 | [
[
4.59592119,
0,
0
],
[
0,
4.59592119,
0
],
[
0,
0,
4.59592119
]
] | agm002627164 | [
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[
0,
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[
2.297960595,
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[
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[
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] | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Mo",
"Mo",
"Mo",
"Zn",
"Ga"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
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0
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[
0,
3.3974113,
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[
0,
0,
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] | -29.127807 | [
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[
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0 | 6.590633 | pbe | true | 8cf2f5e62ce0cf9c262becc4430e6918_221_Zn1Ga1Mo3 |
[
"Ga",
"N",
"Sc"
] | 5 | A2B2C | Ga2NSc2 | Sc2 Ga2 N1 | 3 | [
1,
1,
1
] | 3 | [
[
3.33912285,
0,
0
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[
0,
3.33912285,
0
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[
1.66956142,
1.66956142,
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] | agm002934003 | [
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3.339122829176405,
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] | [{"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Sc",
"Sc",
"Ga",
"Ga",
"N"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.4
] | [
[
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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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] | -27.363506 | [
0,
0,
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0
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[
0,
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[
0,
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[
0,
0,
0
],
[
0,
0,
0
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[
0,
0,
0
]
] | 0.000003 | 2.579609 | pbe | true | 3ee64f1f4db3de62110df28a61ef8726_139_Sc2Ga2N1 |
[
"Ga",
"N",
"Sc"
] | 10 | A2B2C | Ga2NSc2 | Sc4 Ga4 N2 | 3 | [
1,
1,
1
] | 3 | [
[
6.01374104,
0,
0
],
[
0,
6.01374104,
0
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[
0,
0,
4.87613302
]
] | agm002998807 | [
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0
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] | [{"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Sc",
"Sc",
"Sc",
"Sc",
"Ga",
"Ga",
"Ga",
"Ga",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.4
] | [
[
0.53695303,
0,
0
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[
0,
0.53695303,
0
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[
0,
0,
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] | -59.720836 | [
0,
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
]
] | 0.000281 | 14.094335 | pbe | true | 38011ca7a18060122150563a4fd58538_127_Sc4Ga4N2 |
[
"Ga",
"Na",
"O"
] | 4 | A2BC | GaNaO2 | Na1 Ga1 O2 | 3 | [
1,
1,
1
] | 3 | [
[
3.02211068,
0,
0
],
[
1.51105534,
2.61722462,
0
],
[
1.51105534,
0.87240822,
5.41160822
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] | agm002170032 | [
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"Na",
"O",
"O",
"Ga"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
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[
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[
0,
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[
0,
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0,
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[
0,
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[
0,
0,
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[
0,
0,
0
]
] | 0 | 0 | pbe | true | 403261b802c5ea35436704ad6e704962_166_Na1Ga1O2 |
[
"Ga",
"Na",
"O"
] | 20 | A5B4C | GaNa5O4 | Na10 Ga2 O8 | 3 | [
1,
1,
1
] | 3 | [
[
5.47860704,
0,
0
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[
0,
7.42722347,
0
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[
0,
0,
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] | agm006109377 | [
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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": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
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"Ga",
"Ga",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
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] | 2023-11-16 06:57:59 | [
0.1,
0.5,
0.4
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[
0,
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[
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[
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] | 0.351081 | 0 | pbe | true | 3ae017534627ed516cb41dcfee1bbef4_59_Na10Ga2O8 |
[
"Ga",
"Na",
"O"
] | 32 | A2BC | GaNaO2 | Na8 Ga8 O16 | 3 | [
1,
1,
1
] | 3 | [
[
6.02482802,
0.01253599,
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] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
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] | 0 | 7.837198 | pbe | true | 50f12efa566ec55ebefef322a9ae3c27_229_Na1Ga12Rh4 |
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] | 0 | 8.706163 | pbe | true | 346ca7f406da2726f3d108fc2b8ba69e_14_Na4Ga20Sn2 |
[
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1,
1,
1
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] | -0.000001 | 2.669255 | pbe | true | 1840395b2e541a806cf2dd544b5dfc22_123_Na2Tl1Ga1 |
[
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1,
1,
1
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] | -0.00012 | 4.03095 | pbe | true | fbfbc66f9947555cfa580e36a6166764_166_Nb1Ga2Re1 |
[
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1,
1,
1
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] | [{"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"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"]}] | [
"Ru",
"Ru",
"Ru",
"Ru",
"Nd",
"Nd",
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"Ga",
"Ga",
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] | 2023-11-16 06:57:59 | [
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] | 0.000005 | 4.158391 | pbe | true | 08168a14580f59a767ea14a0af127eee_129_Nd2Ga4Ru4 |
[
"Ga",
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1,
1,
1
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[
"Ga",
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1,
1
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"Ga",
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"Sb",
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] | 0 | 4.895617 | pbe | true | 16fa98982e9f953d594b70b08f5dc3ad_62_Nd4Ga4Sb4 |
[
"Ga",
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1,
1,
1
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] | 0.001631 | 9.537094 | pbe | true | 699502da72ba7a5dd5b03903538cc6ba_123_Nd4Tl1Ga1 |
[
"Ga",
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1,
1,
1
] | 3 | [
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0
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] | 0.00001 | 1.794799 | pbe | true | bdf157560e9fad5f5c3ab803fb146dc7_123_Nd1Tm1Ga2 |
[
"Ga",
"Nd",
"Y"
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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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"Y",
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[
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[
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] | -0.000002 | 4.502309 | pbe | true | 8853b6e1a1c766848e2c86f7bd5bd6e0_166_Nd2Y1Ga1 |
[
"Ga",
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"Zn"
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1,
1,
1
] | 3 | [
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] | [{"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Nd",
"Nd",
"Nd",
"Nd",
"Nd",
"Nd",
"Nd",
"Zn",
"Zn",
"Ga",
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] | 2023-11-16 06:57:59 | [
0.18181818181818182,
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[
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] | 0.000385 | 15.615292 | pbe | true | b45612adae22308e9d2aacf1a8d73651_65_Nd7Zn2Ga2 |
[
"Ga",
"Ni",
"Pd"
] | 8 | A4B3C | Ga4Ni3Pd | Ga4 Ni3 Pd1 | 3 | [
1,
1,
1
] | 3 | [
[
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] | mp-1224821 | [
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] | [{"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}] | [
"Ga",
"Ga",
"Ga",
"Ga",
"Ni",
"Ni",
"Ni",
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] | 2019-01-13 01:01:13 | [
0.5,
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[
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] | 0 | 5.820646 | pbe | true | 4c8e569410296938e212a4b68416ce23_146_Ga4Ni3Pd1 |
[
"Ga",
"Ni",
"Pd"
] | 16 | A14BC | GaNiPd14 | Ga1 Ni1 Pd14 | 3 | [
1,
1,
1
] | 3 | [
[
5.52697937,
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0
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[
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] | agm005811950 | [
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[
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1,
1
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] | 0 | 5.670421 | pbe | true | 1090fd87b7557ad724d7a36d2a946ce5_71_Pr3Ga1Ni4 |
[
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1,
1
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] | 0.000005 | 9.469773 | pbe | true | 744951ff5e48d9b386e1acf946c0ef1e_71_Pr3Ga3Ni8 |
[
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1,
1,
1
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] | 0 | 10.607985 | pbe | true | e393219d1a940357a7ff827871ffc4ba_137_Pr2Ga8Ni8 |
[
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1,
1
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] | 11.129401 | 20.180635 | pbe | true | 77b5b13aa684ce3564e2606afd830ff7_11_Pu2Ga4Ni2 |
[
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1,
1
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] | 0.010731 | null | pbe | true | 1fb431f5156df071b35bd9dab7670b22_63_Tb2In2Pb2Se6 |
[
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1,
1
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[
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1,
1,
1
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[
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] | 3.953059 | 10.073602 | pbe | true | 972ebc021fb905ac0593136e6d170cfc_123_Np1Pa2Ga1 |
[
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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,
1,
1
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] | -0 | 0 | pbe | true | 57879d5b4cb8f631f83ab19140b3c803_36_Tm6Ga2O12 |
[
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1,
1,
1
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[
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1,
1,
1
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] | 0.000072 | 16.712706 | pbe | true | 2549ba26420be0111ce084c2a3865553_123_Tm1Pa3Ga12 |
[
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1,
1
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[
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1
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[
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1,
1
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] | 0 | 2.95848 | pbe | true | 4e27687133a09c085ad079b1583811f0_25_Sr4Ga1Pb3 |
[
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1,
1,
1
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] | 1.82604 | 5.14438 | pbe | true | a62c9ff37b4f7765ed479c74a725bf2d_139_Cd1Ni1Rh2 |
[
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1,
1,
1
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[
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[
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] | -56.964904 | [
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[
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[
0,
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[
0,
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0
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] | -0.000004 | 4.946734 | pbe | true | e104559b07b850d24479e02d25597fdc_139_Pm1Ga8Pd4 |
[
"Ga",
"Pd",
"S"
] | 10 | A2B2C | GaPd2S2 | Ga2 Pd4 S4 | 3 | [
1,
1,
1
] | 3 | [
[
7.1805559,
0,
0
],
[
0,
7.1805559,
0
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[
0,
0,
3.23088568
]
] | agm003011476 | [
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] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"S",
"S",
"S",
"S",
"Ga",
"Ga",
"Pd",
"Pd",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.4
] | [
[
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[
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] | -43.244526 | [
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-0.001,
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[
0.00654967,
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0
],
[
0.00654967,
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0
]
] | 0 | 5.295794 | pbe | true | c7709e3ff5bf0861183ef5163749c747_127_Ga2Pd4S4 |
[
"Ga",
"Pd",
"Sc"
] | 5 | A3BC | GaPdSc3 | Sc3 Ga1 Pd1 | 3 | [
1,
1,
1
] | 3 | [
[
5.00563662,
0,
0
],
[
0,
5.00563662,
0
],
[
0,
0,
5.00563662
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] | agm002589279 | [
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] | [{"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Sc",
"Sc",
"Sc",
"Ga",
"Pd"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
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] | -26.355879 | [
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[
0,
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[
0,
0,
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[
0,
0,
0
]
] | 0.000001 | 4.300167 | pbe | true | a76d788f20a42332e7369c8e9785824b_221_Sc3Ga1Pd1 |
[
"Ga",
"Pd",
"V"
] | 4 | A2BC | GaPdV2 | V2 Ga1 Pd1 | 3 | [
1,
1,
1
] | 3 | [
[
4.26157827,
0,
0
],
[
0,
3.63307205,
0
],
[
0,
0,
3.63307205
]
] | agm001248182 | [
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2.130789135,
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[
0,
0,
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[
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] | [{"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Ga",
"Pd",
"V",
"V"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
10.011234,
0,
0
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[
0,
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[
0,
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] | -27.515319 | [
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0,
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0
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[
0,
0,
0
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[
0,
0,
0
]
] | -0.000022 | 3.43515 | pbe | true | 620109573eccfdcf05d073027ee82dd4_123_V2Ga1Pd1 |
[
"Ga",
"Pm",
"Tc"
] | 4 | A2BC | Ga2PmTc | Pm1 Ga2 Tc1 | 3 | [
1,
1,
1
] | 3 | [
[
3.15257501,
0,
0
],
[
1.57628751,
2.73021005,
0
],
[
1.57628751,
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] | agm001953185 | [
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] | [{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Tc",
"Ga",
"Ga",
"Pm"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
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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] | -21.169006 | [
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[
0,
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0.00066361
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[
0,
0,
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[
0,
0,
0
]
] | 0.001146 | 2.744677 | pbe | true | 07261edc73111e84219896b74acbf7b0_166_Pm1Ga2Tc1 |
[
"Ga",
"Pt",
"Ta"
] | 10 | A2B2C | Ga2Pt2Ta | Ta2 Ga4 Pt4 | 3 | [
1,
1,
1
] | 3 | [
[
7.51584501,
0,
0
],
[
0,
7.51584501,
0
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[
0,
0,
2.84318504
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] | agm002978687 | [
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[
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[
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] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Ga",
"Ga",
"Ga",
"Ga",
"Pt",
"Pt",
"Pt",
"Pt",
"Ta",
"Ta"
] | 2023-11-16 06:57:59 | [
0.4,
0.4,
0.2
] | [
[
4.0564437,
0,
0
],
[
0,
4.0564437,
0
],
[
0,
0,
8.590302
]
] | -63.316689 | [
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0,
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0,
0,
0,
0,
0,
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] | [
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[
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[
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[
-0.01008386,
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0
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[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 4.641594 | pbe | true | 0c29ac0b12d3dab1ce480d340b3dc6cc_127_Ta2Ga4Pt4 |
[
"Ga",
"Pt",
"Ti"
] | 8 | A2BC | GaPtTi2 | Ti4 Ga2 Pt2 | 3 | [
1,
1,
1
] | 3 | [
[
3.8625269,
0,
0
],
[
0,
3.8625269,
0
],
[
1.93126345,
1.93126345,
9.2541337
]
] | agm002897335 | [
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0
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1.93126345,
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[
0,
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[
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2.931451387786657,
6.940600275
],
[
4.828158625,
4.793602412213343,
6.940600275
]
] | [{"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Ga",
"Ga",
"Pt",
"Pt",
"Ti",
"Ti",
"Ti",
"Ti"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
5.2775784,
0,
0
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[
0,
5.2775784,
0
],
[
0,
0,
2.1050408
]
] | -50.799876 | [
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0,
0,
0,
0,
0,
0,
0
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0,
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[
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[
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[
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[
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0.00232411,
0,
0
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[
0,
0.00232411,
0
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[
0,
-0.00232411,
0
]
] | 0.00002 | 8.67684 | pbe | true | 107e14ae7961535e72e37b5f1abda2df_122_Ti4Ga2Pt2 |
[
"Ga",
"Re",
"Ru"
] | 4 | A2BC | GaRe2Ru | Ga1 Re2 Ru1 | 3 | [
1,
1,
1
] | 3 | [
[
2.76523221,
0,
0
],
[
1.3826161,
2.39476134,
0
],
[
1.3826161,
0.79825378,
9.33681614
]
] | agm001998091 | [
[
1.3826174834888896,
0.79825457825378,
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[
4.14784692651111,
2.39476054174622,
2.4447134704151035
],
[
2.765232205,
1.59650756,
4.66840807
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Re",
"Re",
"Ga",
"Ru"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
5.6017838,
0,
0
],
[
0,
5.6017838,
0
],
[
0,
0,
5.4031343
]
] | -34.73049 | [
0,
0,
0,
0
] | [
[
0,
0,
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[
0,
0,
-0.00590218
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000181 | 5.873867 | pbe | true | a61b40ab32f04955f3076cd6ec5a6403_166_Ga1Re2Ru1 |
[
"Ga",
"Re",
"Ta"
] | 8 | A2BC | Ga2ReTa | Ta2 Ga4 Re2 | 3 | [
1,
1,
1
] | 3 | [
[
7.06097233,
0,
0
],
[
0,
7.06097233,
0
],
[
3.53048616,
3.53048616,
2.73110959
]
] | agm002831378 | [
[
0,
0,
0
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[
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1.365554795
],
[
5.391584487579789,
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0.6827773975
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1.6693878399202113,
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[
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[
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],
[
3.530486165,
3.530486165,
0
],
[
3.5304861625,
7.060972327500001,
1.365554795
]
] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Re",
"Re",
"Ga",
"Ga",
"Ga",
"Ga",
"Ta",
"Ta"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
4.048314,
0,
0
],
[
0,
4.048314,
0
],
[
0,
0,
2.9926844
]
] | -56.940137 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
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0
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[
0,
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[
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0,
0
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[
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[
0,
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],
[
0,
0.00421485,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000285 | 7.743444 | pbe | true | 5cdf63eba7c0546525b3dfff254a56d6_122_Ta2Ga4Re2 |
[
"Ga",
"Sn",
"W"
] | 4 | A2BC | GaSn2W | Ga1 Sn2 W1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.4553182,
3.4553182
],
[
3.4553182,
0,
3.4553182
],
[
3.4553182,
3.4553182,
0
]
] | agm002677954 | [
[
0,
0,
0
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[
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1.7276591,
1.7276591
],
[
5.182977299999999,
5.182977299999999,
5.182977299999999
],
[
3.4553182,
3.4553182,
3.4553182
]
] | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"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"]}] | [
"Ga",
"Sn",
"Sn",
"W"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
6.1396003,
0,
0
],
[
0,
6.1396003,
0
],
[
0,
0,
6.1396003
]
] | -21.060278 | [
0.014,
0.019,
0.019,
0.602
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.926274 | 2.882356 | pbe | true | 86f5e62e1b77b160360a9edb300bf2b3_225_Ga1Sn2W1 |
[
"Ga",
"Rh",
"Sc"
] | 10 | A2B2C | Ga2Rh2Sc | Sc2 Ga4 Rh4 | 3 | [
1,
1,
1
] | 3 | [
[
7.31051874,
0,
0
],
[
0,
7.31051874,
0
],
[
0,
0,
2.95596306
]
] | agm003015332 | [
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] | [{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Sc",
"Sc",
"Rh",
"Rh",
"Rh",
"Rh",
"Ga",
"Ga",
"Ga",
"Ga"
] | 2023-11-16 06:57:59 | [
0.4,
0.4,
0.2
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[
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[
0,
6.10687,
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[
0,
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15.732052
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] | -61.360206 | [
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] | -0 | 5.25334 | pbe | true | e3bdafbea38924bffae25cf85574c982_127_Sc2Ga4Rh4 |
[
"Ga",
"Rh",
"Th"
] | 8 | A4B3C | Ga3Rh4Th | Th1 Ga3 Rh4 | 3 | [
1,
1,
1
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"Rh",
"Rh",
"Rh",
"Rh",
"Ga",
"Ga",
"Ga",
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] | 2023-11-16 06:57:59 | [
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] | -0 | 3.982096 | pbe | true | d6e1820d13a55625c5a68ced25a23647_166_Th1Ga3Rh4 |
[
"Ga",
"Rh",
"Th"
] | 11 | A5B4C2 | Ga4Rh5Th2 | Th2 Ga4 Rh5 | 3 | [
1,
1,
1
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0
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"Th",
"Th",
"Ga",
"Ga",
"Ga",
"Ga",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh"
] | 2023-11-16 06:57:59 | [
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[
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[
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] | -0.000001 | 6.199028 | pbe | true | bd594f297d0c18d42a2d65790de0319d_69_Th2Ga4Rh5 |
[
"Ga",
"Rh",
"Ti"
] | 10 | A2B2C | GaRh2Ti2 | Ti4 Ga2 Rh4 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
7.277351,
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[
0,
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"Rh",
"Rh",
"Rh",
"Rh",
"Ga",
"Ga",
"Ti",
"Ti",
"Ti",
"Ti"
] | 2023-11-16 06:57:59 | [
0.2,
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0.4
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[
0,
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[
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] | -73.420143 | [
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[
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] | -0.000002 | 9.378245 | pbe | true | ced397b199a40e259a0f8a8cd0d95d76_127_Ti4Ga2Rh4 |
[
"Ga",
"Ru",
"Ta"
] | 6 | A3B2C | GaRu3Ta2 | Ta2 Ga1 Ru3 | 3 | [
1,
1,
1
] | 3 | [
[
3.22216666,
0,
0
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[
0,
4.13608637,
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[
0,
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] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Ta",
"Ta",
"Ga",
"Ru",
"Ru",
"Ru"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
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[
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] | -57.172396 | [
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[
0,
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[
0,
0.00113253,
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] | 0 | 3.044607 | pbe | true | 5e3f8a020ba544d0d3c0d9ae4d24eec4_65_Ta2Ga1Ru3 |
[
"Ga",
"S",
"Zn"
] | 5 | A3BC | Ga3SZn | Zn1 Ga3 S1 | 3 | [
1,
1,
1
] | 3 | [
[
5.01322893,
0,
0
],
[
0,
5.01322893,
0
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[
0,
0,
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] | agm002587704 | [
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[
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] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Zn",
"S",
"Ga",
"Ga",
"Ga"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
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[
0,
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0
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[
0,
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] | -12.453894 | [
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[
0,
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[
0,
0,
0
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[
0,
0,
0
]
] | 0 | 2.271522 | pbe | true | 87e04be3aaf4ba033da4f756bce890d2_221_Zn1Ga3S1 |
[
"Ga",
"Sc",
"Si"
] | 4 | A2BC | GaSc2Si | Sc2 Ga1 Si1 | 3 | [
1,
1,
1
] | 3 | [
[
3.88842361,
0,
0
],
[
0,
4.33525027,
0
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[
0,
0,
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] | agm001225046 | [
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] | [{"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Sc",
"Sc",
"Si",
"Ga"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
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[
0,
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[
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0,
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] | -23.350715 | [
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[
0,
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[
0,
0,
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] | -0.000511 | 2.860078 | pbe | true | 35a6fe281b26a272afc16a58d4533983_123_Sc2Ga1Si1 |
[
"Ga",
"Sc",
"Sr"
] | 5 | A3BC | GaScSr3 | Sr3 Sc1 Ga1 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
],
[
0,
6.11524963,
0
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[
0,
0,
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] | agm002591951 | [
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[
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] | [{"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Sc",
"Sr",
"Sr",
"Sr",
"Ga"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
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[
0,
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[
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] | -12.940099 | [
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[
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[
0,
0,
0
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[
0,
0,
0
]
] | 1.907194 | 6.22528 | pbe | true | b3a43d62a72ba93d2df182c5ab11996b_221_Sr3Sc1Ga1 |
[
"Ga",
"Sc",
"Sr"
] | 6 | ABC | GaScSr | Sr2 Sc2 Ga2 | 3 | [
1,
1,
1
] | 3 | [
[
4.14895304,
-0.00244204,
-0.00006284
],
[
0.01043623,
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0.00977948
],
[
0.00061429,
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] | agm003141812 | [
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] | [{"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Sc",
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"Sr",
"Ga",
"Ga"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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[
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] | -23.395443 | [
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[
0.00550204,
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] | 0.921731 | 10.132617 | pbe | true | 3003f0a4821c687c1944b305661558d6_11_Sr2Sc2Ga2 |
[
"Ga",
"Sc",
"Tc"
] | 10 | A2B2C | Ga2Sc2Tc | Sc4 Ga4 Tc2 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
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0
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[
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"Sc",
"Sc",
"Sc",
"Sc",
"Tc",
"Tc",
"Ga",
"Ga",
"Ga",
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[
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] | -0 | 8.821145 | pbe | true | eca3535c0ef5632f8f8d6a881533d0cc_127_Sc4Ga4Tc2 |
[
"Ga",
"Sc",
"Y"
] | 4 | A2BC | GaSc2Y | Y1 Sc2 Ga1 | 3 | [
1,
1,
1
] | 3 | [
[
1.91758391,
0,
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] | [{"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Y",
"Sc",
"Sc",
"Ga"
] | 2023-11-16 06:57:59 | [
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] | 0.000024 | 6.471648 | pbe | true | bac5892ab4deba2dbf16e1245247d7c1_166_Y1Sc2Ga1 |
[
"Ga",
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"Zn"
] | 8 | A2BC | GaSe2Zn | Zn2 Ga2 Se4 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
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[
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"Zn",
"Zn",
"Ga",
"Ga",
"Se",
"Se",
"Se",
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] | 2023-11-16 06:57:59 | [
0.25,
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] | 0 | 3.356544 | pbe | true | c050e261202305160844234a90a38ba2_122_Zn2Ga2Se4 |
[
"Ga",
"Sn",
"Tl"
] | 4 | A2BC | GaSnTl2 | Tl2 Ga1 Sn1 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
2.32054314,
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"Tl",
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] | -0.000001 | 1.476461 | pbe | true | 9af4323d30a27d2788654f5bf8408b02_8_Tl2Ga1Sn1 |
[
"Ga",
"Sn",
"Tm"
] | 10 | A5B4C | GaSn4Tm5 | Tm5 Ga1 Sn4 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
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"Tm",
"Tm",
"Tm",
"Tm",
"Ga",
"Sn",
"Sn",
"Sn",
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] | 2023-11-16 06:57:59 | [
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] | -0.000015 | 6.70946 | pbe | true | b077dd5c8add6d58d1b0b2ab5cf32575_79_Tm5Ga1Sn4 |
[
"Ga",
"Tc",
"U"
] | 10 | A7B2C | Ga7Tc2U | U1 Ga7 Tc2 | 3 | [
1,
1,
1
] | 3 | [
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3.28173425,
0,
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[
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"Ga",
"Ga",
"Ga",
"Ga",
"Ga",
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] | 2023-11-16 06:57:59 | [
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] | -0.000009 | 3.852982 | pbe | true | bae84e6824dd99f6ad625b26657cdb34_65_U1Ga7Tc2 |
[
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1,
1,
1
] | 3 | [
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"Ti",
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"Ti",
"Zn",
"Zn",
"Zn",
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] | 0 | 5.789913 | pbe | true | a616d0f1479f9a55b4fc6e2c48c2c2d2_12_Ti3Zn4Ga2 |
[
"In",
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"Te"
] | 12 | A3BCD | InPbSmTe3 | In1 Pb1 Sm1 Te3 | 4 | [
1,
1,
1
] | 3 | [
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2.255791132,
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0
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] | oqmd-7476843 | [
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"Sm",
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"Te",
"Te",
"Te",
"Te",
"Te"
] | 2024-11-01 00:00:00 | [
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[
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"Tm",
"Tm",
"Tm",
"Ga",
"Ga",
"Ga",
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