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{
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{
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{
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{
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{
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{
"id": "mp-1182868",
"created_at": "2022-09-04T14:46:13.836880Z",
"structure_string": "Al2 O6\n1.0\n2.711400 -4.696282 0.000000\n2.711400 4.696282 0.000000\n0.000000 0.000000 4.019635\nAl O\n2 6\ndirect\n0.333333 0.666667 0.000000 Al\n0.666667 0.333333 0.000000 Al\n0.609560 0.000000 0.781343 O\n0.390440 0.390440 0.781343 O\n0.000000 0.609560 0.781343 O\n0.390440 0.000000 0.218657 O\n0.609560 0.609560 0.218657 O\n0.000000 0.390440 0.218657 O\n",
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{
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"structure_string": "Al16 Te24\n1.0\n13.135129 0.000000 0.000000\n0.000000 7.281809 0.000000\n0.000000 0.014254 15.324951\nAl Te\n16 24\ndirect\n0.250568 0.420099 0.307678 Al\n0.750568 0.579901 0.192322 Al\n0.749432 0.579901 0.692322 Al\n0.249432 0.420099 0.807678 Al\n0.093745 0.930991 0.317835 Al\n0.593745 0.069009 0.182165 Al\n0.906255 0.069009 0.682165 Al\n0.406255 0.930991 0.817835 Al\n0.409988 0.921088 0.302787 Al\n0.909988 0.078912 0.197213 Al\n0.590012 0.078912 0.697213 Al\n0.090012 0.921088 0.802787 Al\n0.067419 0.569162 0.188838 Al\n0.567419 0.430838 0.311162 Al\n0.932581 0.430838 0.811162 Al\n0.432581 0.569162 0.688838 Al\n0.257735 0.089542 0.388958 Te\n0.757735 0.910458 0.111042 Te\n0.742265 0.910458 0.611042 Te\n0.242265 0.089542 0.888958 Te\n0.236708 0.418601 0.140189 Te\n0.736708 0.581399 0.359811 Te\n0.763292 0.581399 0.859811 Te\n0.263292 0.418601 0.640189 Te\n0.084164 0.923994 0.142212 Te\n0.584164 0.076006 0.357788 Te\n0.915836 0.076006 0.857788 Te\n0.415836 0.923994 0.642212 Te\n0.424039 0.916880 0.135071 Te\n0.924039 0.083120 0.364929 Te\n0.575961 0.083120 0.864929 Te\n0.075961 0.916880 0.635071 Te\n0.406584 0.592123 0.386289 Te\n0.906584 0.407877 0.113711 Te\n0.593416 0.407877 0.613711 Te\n0.093416 0.592123 0.886289 Te\n0.077251 0.575666 0.364470 Te\n0.577251 0.424334 0.135530 Te\n0.922749 0.424334 0.635530 Te\n0.422749 0.575666 0.864470 Te\n",
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"formula_reduced": "ZnS",
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"energy": -135.3576793,
"energy_per_atom": -3.759935536111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -126.3036793,
"band_gap": 2.0305,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.83e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:23.785000Z",
"spacegroup": 156
}
]
}