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{
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{
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{
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{
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"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.08000856999999,
"band_gap": 1.2003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001626,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:00.870000Z",
"spacegroup": 194
},
{
"id": "mp-1120765",
"created_at": "2022-09-04T14:43:54.797229Z",
"structure_string": "Ba1 Ni1 O3\n1.0\n4.030684 0.000000 0.000000\n0.000000 4.030684 0.000000\n0.000000 0.000000 4.030684\nBa Ni O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ni\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"O"
],
"chemical_system": "Ba-Ni-O",
"density": 6.187792965000027,
"density_atomic": 0.07635434397592125,
"volume": 65.48415898349904,
"volume_molar": 7.887096458976995,
"formula_full": "Ba1 Ni1 O3",
"formula_reduced": "BaNiO3",
"formula_anonymous": "ABC3",
"energy": -31.02174563,
"energy_per_atom": -6.204349126,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.41974563,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0269529,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.358000Z",
"spacegroup": 221
}
]
}