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{
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{
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"is_magnetic": false,
"total_magnetization": 0.000214,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.003000Z",
"spacegroup": 194
},
{
"id": "mp-752556",
"created_at": "2022-09-04T14:45:23.392559Z",
"structure_string": "K4 Co4 O8\n1.0\n1.918874 6.227796 -0.004848\n2.330921 0.990064 6.449321\n6.491598 -0.267070 0.441195\nK Co O\n4 4 8\ndirect\n0.405716 0.730380 0.651733 K\n0.905728 0.730488 0.651480 K\n0.094282 0.269621 0.348273 K\n0.594276 0.269520 0.348513 K\n0.976457 0.204727 0.891982 Co\n0.523542 0.795273 0.108020 Co\n0.476426 0.204802 0.892092 Co\n0.023574 0.795196 0.107907 Co\n0.440357 0.031794 0.205295 O\n0.940336 0.031783 0.205237 O\n0.059640 0.968207 0.794707 O\n0.559665 0.968214 0.794767 O\n0.289877 0.653966 0.182840 O\n0.789836 0.653932 0.182830 O\n0.210122 0.346032 0.817162 O\n0.710167 0.346065 0.817161 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"K",
"Co",
"O"
],
"chemical_system": "Co-K-O",
"density": 3.3410210994953964,
"density_atomic": 0.06189357441739041,
"volume": 258.5082563191638,
"volume_molar": 9.729831919851025,
"formula_full": "K4 Co4 O8",
"formula_reduced": "KCoO2",
"formula_anonymous": "ABC2",
"energy": -95.52445796,
"energy_per_atom": -5.9702786225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.47645796,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.85e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.109000Z",
"spacegroup": 12
},
{
"id": "mp-1048031",
"created_at": "2022-09-04T14:45:23.402173Z",
"structure_string": "Sr4 Y2 Ti4 Ga2 O14\n1.0\n-2.762362 2.818040 11.658888\n2.762362 -2.818040 11.658888\n2.762362 2.818040 -11.658888\nSr Y Ti Ga O\n4 2 4 2 14\ndirect\n0.369111 0.838617 0.517162 Sr\n0.630889 0.148051 0.469507 Sr\n0.821456 0.338617 0.469507 Sr\n0.178544 0.648051 0.517162 Sr\n0.000000 0.501268 0.501268 Y\n0.500000 0.001268 0.501268 Y\n0.560958 0.560999 0.001025 Ti\n0.940027 0.940068 0.001025 Ti\n0.059973 0.060999 0.000041 Ti\n0.439042 0.440068 0.000041 Ti\n0.820034 0.712249 0.032283 Ga\n0.179966 0.212249 0.892215 Ga\n0.685481 0.681829 0.500700 O\n0.874322 0.365582 0.739904 O\n0.681130 0.181829 0.996348 O\n0.224661 0.201305 0.071876 O\n0.815625 0.821164 0.501103 O\n0.820060 0.321164 0.005539 O\n0.125678 0.865582 0.491260 O\n0.318870 0.315219 0.500700 O\n0.314519 0.815219 0.996348 O\n0.629429 0.701305 0.976644 O\n0.775339 0.847215 0.976644 O\n0.370571 0.347215 0.071876 O\n0.184375 0.685478 0.005539 O\n0.179940 0.185478 0.501103 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Sr",
"Y",
"Ti",
"Ga",
"O"
],
"chemical_system": "Ga-O-Sr-Ti-Y",
"density": 4.954636529046284,
"density_atomic": 0.07161903779436209,
"volume": 363.03196469426376,
"volume_molar": 8.40857535295464,
"formula_full": "Sr4 Y2 Ti4 Ga2 O14",
"formula_reduced": "Sr2YTi2GaO7",
"formula_anonymous": "ABC2D2E7",
"energy": -205.60220369,
"energy_per_atom": -7.907777065,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -195.98420369,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0095614,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.849000Z",
"spacegroup": 46
}
]
}