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{
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{
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"formula_full": "K1 Sr1 Mn1 Bi1 O6",
"formula_reduced": "KSrMnBiO6",
"formula_anonymous": "ABCDE6",
"energy": -64.44295428000001,
"energy_per_atom": -6.444295428000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.65295428,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0346101,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.569000Z",
"spacegroup": 216
},
{
"id": "mp-1518162",
"created_at": "2022-09-04T14:45:59.830482Z",
"structure_string": "Sr2 La2 Eu2 Sb2 O12\n1.0\n5.907424 0.005570 -0.027764\n-0.003036 6.086145 -0.002080\n-0.053097 -0.015178 8.500011\nSr La Eu Sb O\n2 2 2 2 12\ndirect\n0.985682 0.052313 0.251387 Sr\n0.014318 0.947687 0.748613 Sr\n0.000000 0.500000 0.000000 La\n0.500000 -0.000000 0.500000 La\n0.515092 0.552951 0.248268 Eu\n0.484908 0.447049 0.751732 Eu\n0.500000 -0.000000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.223660 0.183410 0.946826 O\n0.277441 0.680823 0.556418 O\n0.776340 0.816590 0.053174 O\n0.722559 0.319177 0.443582 O\n0.326525 0.719619 0.944136 O\n0.176599 0.222397 0.554888 O\n0.673475 0.280381 0.055864 O\n0.823401 0.777603 0.445112 O\n0.401914 0.962282 0.226869 O\n0.106559 0.467466 0.273393 O\n0.598086 0.037719 0.773131 O\n0.893441 0.532534 0.726607 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"La",
"Eu",
"Sb",
"O"
],
"chemical_system": "Eu-La-O-Sb-Sr",
"density": 6.479736764468523,
"density_atomic": 0.06544596593492806,
"volume": 305.5956118041821,
"volume_molar": 9.20169894961551,
"formula_full": "Sr2 La2 Eu2 Sb2 O12",
"formula_reduced": "SrLaEuSbO6",
"formula_anonymous": "ABCDE6",
"energy": -162.00808111,
"energy_per_atom": -8.1004040555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -153.76408111,
"band_gap": 0.0868999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9999346,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.606000Z",
"spacegroup": 2
}
]
}