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{
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"structure_string": "Sr1 Ti1 Mn1 Bi1 O6\n1.0\n0.000000 3.944316 3.944316\n3.944316 0.000000 3.944316\n3.944316 3.944316 0.000000\nSr Ti Mn Bi O\n1 1 1 1 6\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 Mn\n0.500000 0.500000 0.500000 Bi\n0.002706 0.497294 0.497294 O\n0.497294 0.002706 0.002706 O\n0.002706 0.497294 0.002706 O\n0.497294 0.002706 0.497294 O\n0.497294 0.497294 0.002706 O\n0.002706 0.002706 0.497294 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Ti",
"Mn",
"Bi",
"O"
],
"chemical_system": "Bi-Mn-O-Sr-Ti",
"density": 6.702882673320958,
"density_atomic": 0.08148072797438496,
"volume": 122.7284076689115,
"volume_molar": 7.390877462328485,
"formula_full": "Sr1 Ti1 Mn1 Bi1 O6",
"formula_reduced": "SrTiMnBiO6",
"formula_anonymous": "ABCDE6",
"energy": -77.70812174000001,
"energy_per_atom": -7.770812174000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.91812174,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0001316,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:02.167000Z",
"spacegroup": 216
},
{
"id": "mp-1519529",
"created_at": "2022-09-04T14:45:36.936308Z",
"structure_string": "Sr1 Eu1 Y1 Cr1 O6\n1.0\n0.000000 -4.098339 -4.098339\n4.098339 0.000000 -4.098339\n4.098339 -4.098339 -0.000000\nSr Eu Y Cr O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Cr\n0.767078 0.232922 0.232922 O\n0.232922 0.767078 0.767078 O\n0.767078 0.232922 0.767078 O\n0.232922 0.767078 0.232922 O\n0.767078 0.767078 0.232922 O\n0.232922 0.232922 0.767078 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Eu",
"Y",
"Cr",
"O"
],
"chemical_system": "Cr-Eu-O-Sr-Y",
"density": 5.747014372932771,
"density_atomic": 0.07263507140506785,
"volume": 137.6745394002915,
"volume_molar": 8.290954553367214,
"formula_full": "Sr1 Eu1 Y1 Cr1 O6",
"formula_reduced": "SrEuYCrO6",
"formula_anonymous": "ABCDE6",
"energy": -86.77177719,
"energy_per_atom": -8.677177719,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.65077719,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.065000Z",
"spacegroup": 216
}
]
}