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{
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"elements": [
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],
"chemical_system": "O-Ta",
"density": 6.3852023826989575,
"density_atomic": 0.06091254194816913,
"volume": 229.83772392740875,
"volume_molar": 9.88653661034911,
"formula_full": "Ta4 O10",
"formula_reduced": "Ta2O5",
"formula_anonymous": "A2B5",
"energy": -142.52378288,
"energy_per_atom": -10.180270205714285,
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"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -135.65378288,
"band_gap": 2.8117,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.08e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.339000Z",
"spacegroup": 55
},
{
"id": "mp-1215387",
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"structure_string": "Zr4 C1 N3\n1.0\n10.765428 -1.643020 0.000000\n10.765428 1.643020 0.000000\n10.514670 0.000000 2.834725\nZr C N\n4 1 3\ndirect\n0.874274 0.874274 0.874274 Zr\n0.125726 0.125726 0.125726 Zr\n0.374681 0.374681 0.374681 Zr\n0.625319 0.625319 0.625319 Zr\n0.000000 0.000000 0.000000 C\n0.248541 0.248541 0.248541 N\n0.500000 0.500000 0.500000 N\n0.751459 0.751459 0.751459 N\n",
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"elements": [
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"chemical_system": "C-N-Zr",
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"volume": 100.28017431878328,
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"formula_full": "Zr4 C1 N3",
"formula_reduced": "Zr4CN3",
"formula_anonymous": "AB3C4",
"energy": -81.43960003,
"energy_per_atom": -10.17995000375,
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"updated_at": "2021-11-28T01:36:09.836000Z",
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}
]
}