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"id": "mp-11844",
"created_at": "2022-09-04T14:41:20.168557Z",
"structure_string": "Ho12 Ga2 Co4\n1.0\n-4.605573 4.742831 4.900707\n4.605573 -4.742831 4.900707\n4.605573 4.742831 -4.900707\nHo Ga Co\n12 2 4\ndirect\n0.958393 0.261282 0.697111 Ho\n0.041607 0.738718 0.302889 Ho\n0.673553 0.861586 0.188033 Ho\n0.326447 0.514481 0.188033 Ho\n0.326447 0.138414 0.811967 Ho\n0.673553 0.485519 0.811967 Ho\n0.564171 0.261282 0.302889 Ho\n0.435829 0.738718 0.697111 Ho\n0.180740 0.780585 0.961325 Ho\n0.819260 0.780585 0.599846 Ho\n0.180740 0.219415 0.400154 Ho\n0.819260 0.219415 0.038675 Ho\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.115174 0.115174 0.000000 Co\n0.884826 0.884826 0.000000 Co\n0.663676 0.500000 0.163676 Co\n0.336324 0.500000 0.836324 Co\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ho",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Ho",
"density": 9.130166814961944,
"density_atomic": 0.04203707170444414,
"volume": 428.1934794734299,
"volume_molar": 14.325785588350922,
"formula_full": "Ho12 Ga2 Co4",
"formula_reduced": "Ho6GaCo2",
"formula_anonymous": "AB2C6",
"energy": -94.90292669,
"energy_per_atom": -5.272384816111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -94.90292669,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001357,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:18.611000Z",
"spacegroup": 71
},
{
"id": "mp-756698",
"created_at": "2022-09-04T14:41:21.003751Z",
"structure_string": "Gd1 Bi4 O8\n1.0\n1.880221 6.742400 0.000000\n-1.880221 6.742400 0.000000\n0.000000 5.032565 8.498495\nGd Bi O\n1 4 8\ndirect\n0.020793 0.020793 0.987111 Gd\n0.796203 0.796203 0.799131 Bi\n0.573377 0.573377 0.618839 Bi\n0.406635 0.406635 0.360768 Bi\n0.190542 0.190542 0.231824 Bi\n0.624136 0.624136 0.814269 O\n0.213625 0.213625 0.958505 O\n0.372605 0.372605 0.639927 O\n0.960369 0.960369 0.802720 O\n0.000432 0.000432 0.243736 O\n0.596869 0.596869 0.347808 O\n0.193410 0.193410 0.472921 O\n0.405728 0.405728 0.123126 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Gd",
"Bi",
"O"
],
"chemical_system": "Bi-Gd-O",
"density": 8.640201972426237,
"density_atomic": 0.06033202752524449,
"volume": 215.4742768185681,
"volume_molar": 9.981664808927862,
"formula_full": "Gd1 Bi4 O8",
"formula_reduced": "Gd(BiO2)4",
"formula_anonymous": "AB4C8",
"energy": -95.03632729,
"energy_per_atom": -7.310486714615385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.54032729,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9156452,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.605000Z",
"spacegroup": 8
}
]
}