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{
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"created_at": "2022-09-04T14:48:09.329529Z",
"structure_string": "Ca1 La1 Fe1 Bi1 O6\n1.0\n0.000000 5.756215 0.000000\n2.878108 -2.878108 4.283936\n5.756215 -0.000000 -0.000000\nCa La Fe Bi O\n1 1 1 1 6\ndirect\n0.250000 0.500000 0.250000 Ca\n0.500000 -0.000000 0.500000 La\n0.000000 -0.000000 0.000000 Fe\n0.750000 0.500000 0.750000 Bi\n0.765502 0.531005 0.234498 O\n0.234498 0.468995 0.765502 O\n0.864117 0.991388 0.691838 O\n0.127272 0.991388 0.316774 O\n0.316774 0.008612 0.864117 O\n0.691838 0.008612 0.127272 O\n",
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"nelements": 5,
"elements": [
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"La",
"Fe",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-Fe-La-O",
"density": 6.314940018525619,
"density_atomic": 0.07045032682926651,
"volume": 141.9439830880358,
"volume_molar": 8.54806646191211,
"formula_full": "Ca1 La1 Fe1 Bi1 O6",
"formula_reduced": "CaLaFeBiO6",
"formula_anonymous": "ABCDE6",
"energy": -71.4332375,
"energy_per_atom": -7.14332375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.0552375,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:22.911000Z",
"spacegroup": 82
},
{
"id": "mp-1516222",
"created_at": "2022-09-04T14:41:14.585033Z",
"structure_string": "Ba1 Sr1 Nd1 V1 O6\n1.0\n-0.000000 -4.221031 -4.221031\n4.221031 0.000000 -4.221031\n4.221031 -4.221031 0.000000\nBa Sr Nd V O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 V\n0.726148 0.273852 0.273852 O\n0.273852 0.726148 0.726148 O\n0.726148 0.273852 0.726148 O\n0.273852 0.726148 0.273852 O\n0.726148 0.726148 0.273852 O\n0.273852 0.273852 0.726148 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
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"Sr",
"Nd",
"V",
"O"
],
"chemical_system": "Ba-Nd-O-Sr-V",
"density": 5.697967546544067,
"density_atomic": 0.06648357724245413,
"volume": 150.41308567876433,
"volume_molar": 9.058087741034589,
"formula_full": "Ba1 Sr1 Nd1 V1 O6",
"formula_reduced": "BaSrNdVO6",
"formula_anonymous": "ABCDE6",
"energy": -77.69440558000001,
"energy_per_atom": -7.769440558000001,
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"energy_uncorrected": -71.87240558,
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"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.504000Z",
"spacegroup": 216
}
]
}