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{
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"energy_per_atom": -3.5647591458333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.74510975,
"band_gap": 3.5645,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0005912,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.215000Z",
"spacegroup": 36
},
{
"id": "mp-753775",
"created_at": "2022-09-04T14:39:35.916834Z",
"structure_string": "Ba1 Ca1 I4\n1.0\n5.699787 0.000000 0.000000\n0.000000 5.719224 0.000000\n0.000000 0.000000 8.186859\nBa Ca I\n1 1 4\ndirect\n0.000000 0.490241 0.500000 Ba\n0.500000 0.002659 0.000000 Ca\n0.500000 0.498745 0.766189 I\n0.000000 0.994190 0.762524 I\n0.500000 0.498745 0.233811 I\n0.000000 0.994190 0.237476 I\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"I"
],
"chemical_system": "Ba-Ca-I",
"density": 4.262271705455383,
"density_atomic": 0.02248216892535434,
"volume": 266.87816553292953,
"volume_molar": 26.786297976831367,
"formula_full": "Ba1 Ca1 I4",
"formula_reduced": "BaCaI4",
"formula_anonymous": "ABC4",
"energy": -21.27292124,
"energy_per_atom": -3.545486873333333,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -19.75692124,
"band_gap": 2.7146,
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"is_magnetic": false,
"total_magnetization": 0.0008541,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.690000Z",
"spacegroup": 25
}
]
}