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{
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{
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{
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{
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"formula_full": "Ca1 Nd1 Hf1 Fe1 O6",
"formula_reduced": "CaNdHfFeO6",
"formula_anonymous": "ABCDE6",
"energy": -86.07434427,
"energy_per_atom": -8.607434427,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.69634427,
"band_gap": 2.0833000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0000007,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.499000Z",
"spacegroup": 216
},
{
"id": "mp-1522379",
"created_at": "2022-09-04T14:39:35.457708Z",
"structure_string": "Na1 Ca1 Sn1 Sb1 O6\n1.0\n-0.000000 -4.013593 -4.013593\n4.013593 0.000000 -4.013593\n4.013593 -4.013593 0.000000\nNa Ca Sn Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Sn\n-0.000000 -0.000000 -0.000000 Sb\n0.754125 0.245875 0.245875 O\n0.245875 0.754125 0.754125 O\n0.754125 0.245875 0.754125 O\n0.245875 0.754125 0.245875 O\n0.754125 0.754125 0.245875 O\n0.245875 0.245875 0.754125 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Ca",
"Sn",
"Sb",
"O"
],
"chemical_system": "Ca-Na-O-Sb-Sn",
"density": 5.130657657559794,
"density_atomic": 0.07733391782623976,
"volume": 129.3093674947237,
"volume_molar": 7.7871921263979464,
"formula_full": "Na1 Ca1 Sn1 Sb1 O6",
"formula_reduced": "NaCaSnSbO6",
"formula_anonymous": "ABCDE6",
"energy": -63.22971946,
"energy_per_atom": -6.322971946,
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"is_stable": null,
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"energy_uncorrected": -59.10771946,
"band_gap": 0.2520999999999995,
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"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.739000Z",
"spacegroup": 216
}
]
}