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"nelements": 5,
"elements": [
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],
"chemical_system": "K-Nb-O-Pr-Sr",
"density": 4.641678163578028,
"density_atomic": 0.061229091262985993,
"volume": 653.2842342571344,
"volume_molar": 9.835424037463195,
"formula_full": "K4 Sr4 Pr4 Nb4 O24",
"formula_reduced": "KSrPrNbO6",
"formula_anonymous": "ABCDE6",
"energy": -306.24193804,
"energy_per_atom": -7.656048450999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -289.75393804,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.788000Z",
"spacegroup": 48
},
{
"id": "mp-40189",
"created_at": "2022-09-04T14:46:17.769453Z",
"structure_string": "Ba1 Li1 La1 Te1 O6\n1.0\n0.000000 4.046878 4.046878\n4.046878 0.000000 4.046878\n4.046878 4.046878 0.000000\nBa Li La Te O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 La\n0.500000 0.500000 0.500000 Te\n0.740057 0.259943 0.259943 O\n0.259943 0.259943 0.740057 O\n0.259943 0.740057 0.259943 O\n0.740057 0.259943 0.740057 O\n0.740057 0.740057 0.259943 O\n0.259943 0.740057 0.740057 O\n",
"nsites": 10,
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"elements": [
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"La",
"Te",
"O"
],
"chemical_system": "Ba-La-Li-O-Te",
"density": 6.348477016838306,
"density_atomic": 0.07544138766623425,
"volume": 132.55323515842167,
"volume_molar": 7.982542403173963,
"formula_full": "Ba1 Li1 La1 Te1 O6",
"formula_reduced": "BaLiLaTeO6",
"formula_anonymous": "ABCDE6",
"energy": -68.25911813,
"energy_per_atom": -6.825911813,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -64.13711813,
"band_gap": 2.9506,
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"is_magnetic": false,
"total_magnetization": 7.4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.813000Z",
"spacegroup": 216
}
]
}