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},
{
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"created_at": "2022-09-04T14:46:29.270206Z",
"structure_string": "Hf1 Be1 O3\n1.0\n3.438335 0.000000 0.000000\n0.000000 3.438335 0.000000\n0.000000 0.000000 3.438335\nHf Be O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Be\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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],
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"density": 9.620466885977175,
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"volume": 40.64850377274624,
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"formula_full": "Hf1 Be1 O3",
"formula_reduced": "HfBeO3",
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"updated_at": "2021-11-28T01:37:39.634000Z",
"spacegroup": 221
},
{
"id": "mp-1196392",
"created_at": "2022-09-04T14:43:43.197671Z",
"structure_string": "Li8 B8 H40 N8\n1.0\n5.194237 0.000000 0.000000\n0.000000 7.139212 0.000000\n0.000000 0.000000 14.033371\nLi B H N\n8 8 40 8\ndirect\n0.064198 0.451300 0.177283 Li\n0.935802 0.951300 0.322717 Li\n0.435802 0.548700 0.677283 Li\n0.564198 0.048700 0.822717 Li\n0.935802 0.548700 0.822717 Li\n0.064198 0.048700 0.677283 Li\n0.564198 0.451300 0.322717 Li\n0.435802 0.951300 0.177283 Li\n0.533156 0.594883 0.153871 B\n0.466844 0.094883 0.346129 B\n0.966844 0.405117 0.653871 B\n0.033156 0.905117 0.846129 B\n0.466844 0.405117 0.846129 B\n0.533156 0.905117 0.653871 B\n0.033156 0.594883 0.346129 B\n0.966844 0.094883 0.153871 B\n0.354684 0.677494 0.111989 H\n0.645316 0.177494 0.388011 H\n0.145316 0.322506 0.611989 H\n0.854684 0.822506 0.888011 H\n0.645316 0.322506 0.888011 H\n0.354684 0.822506 0.611989 H\n0.854684 0.677494 0.388011 H\n0.145316 0.177494 0.111989 H\n0.584594 0.685599 0.226289 H\n0.415406 0.185599 0.273711 H\n0.915406 0.314401 0.726289 H\n0.084594 0.814401 0.773711 H\n0.415406 0.314401 0.773711 H\n0.584594 0.814401 0.726289 H\n0.084594 0.685599 0.273711 H\n0.915406 0.185599 0.226289 H\n0.446960 0.441102 0.180293 H\n0.553040 0.941102 0.319707 H\n0.053040 0.558898 0.680293 H\n0.946960 0.058898 0.819707 H\n0.553040 0.558898 0.819707 H\n0.446960 0.058898 0.680293 H\n0.946960 0.441102 0.319707 H\n0.053040 0.941102 0.180293 H\n0.858927 0.688368 0.074447 H\n0.141073 0.188368 0.425553 H\n0.641073 0.311632 0.574447 H\n0.358927 0.811632 0.925553 H\n0.141073 0.311632 0.925553 H\n0.858927 0.811632 0.574447 H\n0.358927 0.688368 0.425553 H\n0.641073 0.188368 0.074447 H\n0.747561 0.493593 0.032301 H\n0.252439 0.993593 0.467699 H\n0.752439 0.506407 0.532301 H\n0.247561 0.006407 0.967699 H\n0.252439 0.506407 0.967699 H\n0.747561 0.006407 0.532301 H\n0.247561 0.493593 0.467699 H\n0.752439 0.993593 0.032301 H\n0.781963 0.563223 0.094790 N\n0.218037 0.063223 0.405210 N\n0.718037 0.436777 0.594790 N\n0.281963 0.936777 0.905210 N\n0.218037 0.436777 0.905210 N\n0.781963 0.936777 0.594790 N\n0.281963 0.563223 0.405210 N\n0.718037 0.063223 0.094790 N\n",
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"chemical_system": "B-H-Li-N",
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"volume": 520.396116452051,
"volume_molar": 4.89671666286188,
"formula_full": "Li8 B8 H40 N8",
"formula_reduced": "LiBH5N",
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"updated_at": "2021-11-28T01:36:14.925000Z",
"spacegroup": 61
}
]
}