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"nelements": 5,
"elements": [
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"Ti",
"Nb",
"Sn",
"O"
],
"chemical_system": "Ca-Nb-O-Sn-Ti",
"density": 5.135348638953404,
"density_atomic": 0.07818274327998077,
"volume": 127.90546328348866,
"volume_molar": 7.702647038661804,
"formula_full": "Ca1 Ti1 Nb1 Sn1 O6",
"formula_reduced": "CaTiNbSnO6",
"formula_anonymous": "ABCDE6",
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"energy_per_atom": -8.229041743,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -78.16841743,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.2260333,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.911000Z",
"spacegroup": 216
},
{
"id": "mp-1223657",
"created_at": "2022-09-04T14:42:43.230889Z",
"structure_string": "K2 Cr2 Ni2 O2 F12\n1.0\n-3.750156 3.805242 5.212238\n3.750156 -3.805242 5.212238\n3.750156 3.805242 -5.212238\nK Cr Ni O F\n2 2 2 2 12\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.500000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.961295 0.711295 0.250000 O\n0.038705 0.288705 0.750000 O\n0.563467 0.934833 0.255978 F\n0.178854 0.934833 0.871365 F\n0.573829 0.323829 0.250000 F\n0.178854 0.307489 0.244022 F\n0.563467 0.307489 0.628635 F\n0.187933 0.937933 0.250000 F\n0.436533 0.065167 0.744022 F\n0.821146 0.065167 0.128635 F\n0.426171 0.676171 0.750000 F\n0.821146 0.692511 0.755978 F\n0.436533 0.692511 0.371365 F\n0.812067 0.062067 0.750000 F\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Cr-F-K-Ni-O",
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"density_atomic": 0.06722242118113757,
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"formula_full": "K2 Cr2 Ni2 O2 F12",
"formula_reduced": "KCrNiOF6",
"formula_anonymous": "ABCDE6",
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"energy_uncorrected": -96.3888815,
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"updated_at": "2021-11-28T01:35:57.398000Z",
"spacegroup": 74
}
]
}