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{
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"id": "mp-1276866",
"created_at": "2022-09-04T14:42:22.811635Z",
"structure_string": "Sr2 La2 Fe2 Co2 O12\n1.0\n2.783102 -4.820683 -0.000085\n8.226817 4.749983 0.124922\n0.071555 -3.172404 4.485520\nSr La Fe Co O\n2 2 2 2 12\ndirect\n0.874985 0.374887 0.250092 Sr\n0.375672 0.874723 0.248636 Sr\n0.126197 0.623039 0.747792 La\n0.624335 0.124369 0.751365 La\n0.250280 0.248519 0.499539 Fe\n0.751170 0.748607 0.497656 Fe\n0.499676 0.501898 0.000713 Co\n0.999716 0.001440 0.000580 Co\n0.879782 0.374033 0.749989 O\n0.381473 0.874699 0.747228 O\n0.619882 0.126811 0.254653 O\n0.121198 0.627127 0.253062 O\n0.370267 0.374033 0.750018 O\n0.871265 0.874701 0.747283 O\n0.125481 0.126795 0.254632 O\n0.625639 0.627094 0.253111 O\n0.622013 0.618621 0.755698 O\n0.119803 0.120345 0.760366 O\n0.379022 0.380343 0.241951 O\n0.882144 0.877917 0.235641 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"La",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-La-O-Sr",
"density": 6.095730951929894,
"density_atomic": 0.0839454479392693,
"volume": 238.24996460164328,
"volume_molar": 7.173874114480567,
"formula_full": "Sr2 La2 Fe2 Co2 O12",
"formula_reduced": "SrLaFeCoO6",
"formula_anonymous": "ABCDE6",
"energy": -151.56914847000002,
"energy_per_atom": -7.578457423500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -135.53714847,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0082963,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.240000Z",
"spacegroup": 119
},
{
"id": "mp-9322",
"created_at": "2022-09-04T14:42:21.440425Z",
"structure_string": "Rb4 Sn4 Se10\n1.0\n4.398760 5.900175 0.000000\n-4.398760 5.900175 0.000000\n0.000000 3.828210 11.657749\nRb Sn Se\n4 4 10\ndirect\n0.591859 0.941565 0.820450 Rb\n0.058435 0.408141 0.679550 Rb\n0.408141 0.058435 0.179550 Rb\n0.941565 0.591859 0.320450 Rb\n0.745353 0.448490 0.056182 Sn\n0.551510 0.254647 0.443818 Sn\n0.254647 0.551510 0.943818 Sn\n0.448490 0.745353 0.556182 Sn\n0.801653 0.198347 0.250000 Se\n0.198347 0.801653 0.750000 Se\n0.642629 0.375640 0.885047 Se\n0.624360 0.357371 0.614953 Se\n0.357371 0.624360 0.114953 Se\n0.375640 0.642629 0.385047 Se\n0.871402 0.751474 0.030985 Se\n0.248526 0.128598 0.469015 Se\n0.751474 0.871402 0.530985 Se\n0.128598 0.248526 0.969015 Se\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Rb",
"Sn",
"Se"
],
"chemical_system": "Rb-Se-Sn",
"density": 4.407973030252109,
"density_atomic": 0.029746279123586922,
"volume": 605.117699770629,
"volume_molar": 20.245022024367486,
"formula_full": "Rb4 Sn4 Se10",
"formula_reduced": "Rb2Sn2Se5",
"formula_anonymous": "A2B2C5",
"energy": -72.75797177,
"energy_per_atom": -4.042109542777777,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.03797177,
"band_gap": 0.8432999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025019,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:42.104000Z",
"spacegroup": 15
}
]
}