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{
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{
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{
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{
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"formula_full": "Li9 Mn7 O16",
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{
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"created_at": "2022-09-04T14:48:06.125166Z",
"structure_string": "La6 W1 O12\n1.0\n4.483221 -5.196148 0.000000\n4.483221 5.196148 0.000000\n-1.539224 0.000000 6.688050\nLa W O\n6 1 12\ndirect\n0.142972 0.305556 0.606897 La\n0.393103 0.857028 0.694444 La\n0.694444 0.393103 0.857028 La\n0.305556 0.606897 0.142972 La\n0.606897 0.142972 0.305556 La\n0.857028 0.694444 0.393103 La\n0.000000 0.000000 0.000000 W\n0.068748 0.284162 0.969598 O\n0.030402 0.931252 0.715838 O\n0.405969 0.560701 0.823269 O\n0.176731 0.594031 0.439299 O\n0.715838 0.030402 0.931252 O\n0.439299 0.176731 0.594031 O\n0.560701 0.823269 0.405969 O\n0.284162 0.969598 0.068748 O\n0.823269 0.405969 0.560701 O\n0.594031 0.439299 0.176731 O\n0.969598 0.068748 0.284162 O\n0.931252 0.715838 0.030402 O\n",
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{
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{
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{
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{
"id": "mp-408",
"created_at": "2022-09-04T14:48:06.141761Z",
"structure_string": "Mg2 Ge1\n1.0\n0.000000 3.212714 3.212714\n3.212714 0.000000 3.212714\n3.212714 3.212714 0.000000\nMg Ge\n2 1\ndirect\n0.750000 0.750000 0.750000 Mg\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Ge"
],
"chemical_system": "Ge-Mg",
"density": 3.0358803533733467,
"density_atomic": 0.045235048638806286,
"volume": 66.32025586961251,
"volume_molar": 13.312997202867425,
"formula_full": "Mg2 Ge1",
"formula_reduced": "Mg2Ge",
"formula_anonymous": "AB2",
"energy": -8.63012473,
"energy_per_atom": -2.8767082433333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.63012473,
"band_gap": 0.2101999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007279,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:27.716000Z",
"spacegroup": 225
},
{
"id": "mp-1275937",
"created_at": "2022-09-04T14:48:06.146236Z",
"structure_string": "Co4 O8\n1.0\n-2.436415 1.409272 -0.006873\n2.471914 4.274245 -0.021290\n0.000690 -0.015470 -10.294806\nCo O\n4 8\ndirect\n0.498773 0.500971 0.501832 Co\n0.998749 0.001026 0.002318 Co\n0.998773 0.000940 0.501832 Co\n0.498748 0.501020 0.002314 Co\n0.499287 0.834108 0.410616 O\n0.999294 0.334000 0.410678 O\n0.498176 0.832928 0.093452 O\n0.998182 0.333043 0.093503 O\n0.498258 0.167781 0.593002 O\n0.998253 0.667898 0.592944 O\n0.499313 0.169071 0.911241 O\n0.999307 0.668979 0.911182 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Co",
"O"
],
"chemical_system": "Co-O",
"density": 4.221529168095506,
"density_atomic": 0.08387358997733094,
"volume": 143.0724499004194,
"volume_molar": 7.180020268153114,
"formula_full": "Co4 O8",
"formula_reduced": "CoO2",
"formula_anonymous": "AB2",
"energy": -80.89560056,
"energy_per_atom": -6.741300046666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.84760056,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.864000Z",
"spacegroup": 194
}
]
}