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"structure_string": "B4 C6 N12\n1.0\n5.812026 -4.196710 0.000000\n5.812026 4.196710 0.000000\n2.781693 0.000000 6.607133\nB C N\n4 6 12\ndirect\n0.099452 0.099452 0.099452 B\n0.900548 0.900548 0.900548 B\n0.400548 0.400548 0.400548 B\n0.599452 0.599452 0.599452 B\n0.175361 0.750000 0.324639 C\n0.824639 0.250000 0.675361 C\n0.250000 0.675361 0.824639 C\n0.675361 0.824639 0.250000 C\n0.324639 0.175361 0.750000 C\n0.750000 0.324639 0.175361 C\n0.903367 0.070866 0.729544 N\n0.429134 0.596633 0.770456 N\n0.729544 0.903367 0.070866 N\n0.570866 0.403367 0.229544 N\n0.096633 0.929134 0.270456 N\n0.229544 0.570866 0.403367 N\n0.929134 0.270456 0.096633 N\n0.270456 0.096633 0.929134 N\n0.070866 0.729544 0.903367 N\n0.403367 0.229544 0.570866 N\n0.596633 0.770456 0.429134 N\n0.770456 0.429134 0.596633 N\n",
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"elements": [
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],
"chemical_system": "B-C-N",
"density": 1.4599968547320674,
"density_atomic": 0.06825636054895248,
"volume": 322.3142843108653,
"volume_molar": 8.822827223084957,
"formula_full": "B4 C6 N12",
"formula_reduced": "B2(CN2)3",
"formula_anonymous": "A2B3C6",
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"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -185.18544616,
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"updated_at": "2021-11-28T01:36:59.155000Z",
"spacegroup": 167
},
{
"id": "mp-1183212",
"created_at": "2022-09-04T14:45:42.618659Z",
"structure_string": "B1 Au1 O3\n1.0\n3.496670 0.000000 0.000000\n0.000000 3.496670 0.000000\n0.000000 0.000000 3.496670\nB Au O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 B\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"elements": [
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],
"chemical_system": "Au-B-O",
"density": 9.934466602061132,
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"volume": 42.75273889652396,
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"formula_full": "B1 Au1 O3",
"formula_reduced": "BAuO3",
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"updated_at": "2021-11-28T01:37:17.775000Z",
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}
]
}