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"elements": [
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],
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"density": 7.178474266173817,
"density_atomic": 0.03164286241461634,
"volume": 189.61622123125323,
"volume_molar": 19.031592910565127,
"formula_full": "Ba2 Cu2 Bi2",
"formula_reduced": "BaCuBi",
"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:35:46.695000Z",
"spacegroup": 194
},
{
"id": "mp-16052",
"created_at": "2022-09-04T14:43:54.323256Z",
"structure_string": "Ba1 Cu4 As2\n1.0\n8.340618 -2.113882 0.000000\n8.340618 2.113882 0.000000\n7.804867 0.000000 3.621942\nBa Cu As\n1 4 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.443417 0.443417 0.443417 Cu\n0.144431 0.144431 0.144431 Cu\n0.556583 0.556583 0.556583 Cu\n0.855569 0.855569 0.855569 Cu\n0.243644 0.243644 0.243644 As\n0.756356 0.756356 0.756356 As\n",
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],
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"density_atomic": 0.05480845769338926,
"volume": 127.71751467920447,
"volume_molar": 10.98761215593622,
"formula_full": "Ba1 Cu4 As2",
"formula_reduced": "Ba(Cu2As)2",
"formula_anonymous": "AB2C4",
"energy": -29.887086420000003,
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"energy_uncorrected": -29.887086420000003,
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"updated_at": "2021-11-28T01:36:27.313000Z",
"spacegroup": 166
},
{
"id": "mp-505215",
"created_at": "2022-09-04T14:39:43.965361Z",
"structure_string": "Ba1 Cu6 As2\n1.0\n4.209540 0.000000 0.000000\n0.000000 4.209540 0.000000\n0.000000 0.000000 8.718671\nBa Cu As\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.500000 0.336482 Cu\n0.500000 0.000000 0.336482 Cu\n0.000000 0.500000 0.663518 Cu\n0.500000 0.000000 0.663518 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.195586 As\n0.500000 0.500000 0.804414 As\n",
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],
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"volume": 154.49682935945356,
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"formula_full": "Ba1 Cu6 As2",
"formula_reduced": "Ba(Cu3As)2",
"formula_anonymous": "AB2C6",
"energy": -38.28531852,
"energy_per_atom": -4.25392428,
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"updated_at": "2021-11-28T01:34:42.544000Z",
"spacegroup": 123
}
]
}