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},
{
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"created_at": "2022-09-04T14:47:56.563409Z",
"structure_string": "Ta1 In3 Se4\n1.0\n-3.974849 3.974849 3.974849\n3.974849 -3.974849 3.974849\n3.974849 3.974849 -3.974849\nTa In Se\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.000000 In\n0.000000 0.500000 0.500000 In\n0.500000 0.000000 0.500000 In\n0.350901 0.000000 0.000000 Se\n0.000000 0.000000 0.350901 Se\n0.649099 0.649099 0.649099 Se\n0.000000 0.350901 0.000000 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
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],
"chemical_system": "In-Se-Ta",
"density": 5.560938428735581,
"density_atomic": 0.03184696794896792,
"volume": 251.20130785509392,
"volume_molar": 18.909620437493366,
"formula_full": "Ta1 In3 Se4",
"formula_reduced": "TaIn3Se4",
"formula_anonymous": "AB3C4",
"energy": -39.77345153,
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"formation_energy": null,
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"energy_uncorrected": -37.88545153,
"band_gap": 1.8218,
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"updated_at": "2021-11-28T01:38:21.984000Z",
"spacegroup": 217
},
{
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"structure_string": "Ta2 In2 Bi4 O14\n1.0\n-3.787954 3.821495 5.408114\n3.787954 -3.821495 5.408114\n3.787954 3.821495 -5.408114\nTa In Bi O\n2 2 4 14\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.000000 0.500000 Ta\n0.000000 0.000000 0.500000 In\n0.000000 0.500000 0.000000 In\n0.500000 0.500000 0.500000 Bi\n0.500000 0.000000 0.000000 Bi\n0.500000 0.500000 0.000000 Bi\n0.000000 0.500000 0.500000 Bi\n0.380238 0.630238 0.750000 O\n0.619762 0.369762 0.250000 O\n0.291681 0.041681 0.250000 O\n0.899505 0.649505 0.250000 O\n0.350597 0.679448 0.282142 O\n0.897306 0.068455 0.217858 O\n0.350597 0.068455 0.671150 O\n0.897306 0.679448 0.828850 O\n0.708319 0.958319 0.750000 O\n0.100495 0.350495 0.750000 O\n0.649403 0.320552 0.717858 O\n0.102694 0.931545 0.782142 O\n0.649403 0.931545 0.328850 O\n0.102694 0.320552 0.171150 O\n",
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"chemical_system": "Bi-In-O-Ta",
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"formula_full": "Ta2 In2 Bi4 O14",
"formula_reduced": "TaInBi2O7",
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}
]
}