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"structure_string": "K1 Hf1 Nb1 In1 O6\n1.0\n-0.000000 -4.094027 -4.094027\n4.094027 -0.000000 -4.094027\n4.094027 -4.094027 0.000000\nK Hf Nb In O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 -0.000000 Hf\n0.500000 0.500000 0.500000 Nb\n0.250000 0.250000 0.250000 In\n0.746114 0.253886 0.253886 O\n0.253886 0.746114 0.746114 O\n0.746114 0.253886 0.746114 O\n0.253886 0.746114 0.253886 O\n0.746114 0.746114 0.253886 O\n0.253886 0.253886 0.746114 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
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],
"chemical_system": "Hf-In-K-Nb-O",
"density": 6.30757297433268,
"density_atomic": 0.07286482007666181,
"volume": 137.24044044133916,
"volume_molar": 8.264812503021409,
"formula_full": "K1 Hf1 Nb1 In1 O6",
"formula_reduced": "KHfNbInO6",
"formula_anonymous": "ABCDE6",
"energy": -81.39146518000001,
"energy_per_atom": -8.139146518,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.26946518,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.46e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:37.454000Z",
"spacegroup": 216
},
{
"id": "mp-1521771",
"created_at": "2022-09-04T14:46:34.259941Z",
"structure_string": "Ba1 Sr1 La1 Nb1 O6\n1.0\n-0.000000 -4.367769 -4.367769\n4.367769 -0.000000 -4.367769\n4.367769 -4.367769 0.000000\nBa Sr La Nb 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 La\n0.500000 0.500000 0.500000 Nb\n0.731031 0.268969 0.268969 O\n0.268969 0.731031 0.731031 O\n0.731031 0.268969 0.731031 O\n0.268969 0.731031 0.268969 O\n0.731031 0.731031 0.268969 O\n0.268969 0.268969 0.731031 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
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],
"chemical_system": "Ba-La-Nb-O-Sr",
"density": 5.507734452019315,
"density_atomic": 0.06000549456603814,
"volume": 166.65140538079643,
"volume_molar": 10.035982210549776,
"formula_full": "Ba1 Sr1 La1 Nb1 O6",
"formula_reduced": "BaSrLaNbO6",
"formula_anonymous": "ABCDE6",
"energy": -81.51442406,
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"updated_at": "2021-11-28T01:37:32.225000Z",
"spacegroup": 216
}
]
}