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{
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{
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{
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"spacegroup": 115
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{
"id": "mp-1206411",
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{
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{
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"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.55752844,
"band_gap": 1.2907000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003267,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:03.118000Z",
"spacegroup": 139
},
{
"id": "mp-1103999",
"created_at": "2022-09-04T14:41:31.821141Z",
"structure_string": "Ba3 In1 Hg10\n1.0\n-2.681894 5.070012 7.778848\n2.681894 -5.070012 7.778848\n2.681894 5.070012 -7.778848\nBa In Hg\n3 1 10\ndirect\n0.000000 0.000000 0.000000 Ba\n0.701097 0.701097 0.000000 Ba\n0.298903 0.298903 0.000000 Ba\n0.500000 0.000000 0.500000 In\n0.142893 0.858706 0.284187 Hg\n0.857107 0.141294 0.715813 Hg\n0.425481 0.141294 0.284187 Hg\n0.574519 0.858706 0.715813 Hg\n0.017621 0.662210 0.355410 Hg\n0.982379 0.337790 0.644590 Hg\n0.693200 0.337790 0.355410 Hg\n0.306800 0.662210 0.644590 Hg\n0.678831 0.500000 0.178831 Hg\n0.321169 0.500000 0.821169 Hg\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"In",
"Hg"
],
"chemical_system": "Ba-Hg-In",
"density": 9.940467362446002,
"density_atomic": 0.03309041112920736,
"volume": 423.0832897583087,
"volume_molar": 18.19905088663144,
"formula_full": "Ba3 In1 Hg10",
"formula_reduced": "Ba3InHg10",
"formula_anonymous": "AB3C10",
"energy": -16.8281161,
"energy_per_atom": -1.2020082928571427,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.8281161,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.4085588,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:21.393000Z",
"spacegroup": 71
}
]
}