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{
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{
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{
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{
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"created_at": "2022-09-04T14:42:07.027970Z",
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{
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"created_at": "2022-09-04T14:47:20.108781Z",
"structure_string": "Te6 Mo3 W1 Se2\n1.0\n1.749743 -3.030643 0.000000\n1.749743 3.030643 0.000000\n0.000000 0.000000 39.543189\nTe Mo W Se\n6 3 1 2\ndirect\n0.333333 0.666667 0.704122 Te\n0.666667 0.333333 0.047626 Te\n0.666667 0.333333 0.423329 Te\n0.666667 0.333333 0.140276 Te\n0.666667 0.333333 0.515959 Te\n0.333333 0.666667 0.610957 Te\n0.333333 0.666667 0.093893 Mo\n0.333333 0.666667 0.469640 Mo\n0.666667 0.333333 0.281766 Mo\n0.666667 0.333333 0.657576 W\n0.333333 0.666667 0.322680 Se\n0.333333 0.666667 0.240924 Se\n",
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"updated_at": "2021-11-28T01:34:46.716000Z",
"spacegroup": 123
},
{
"id": "mp-567313",
"created_at": "2022-09-04T14:43:00.719219Z",
"structure_string": "Te3\n1.0\n2.253370 -3.902951 0.000000\n2.253370 3.902951 0.000000\n0.000000 0.000000 5.962127\nTe\n3\ndirect\n0.000000 0.269108 0.333333 Te\n0.269108 0.000000 0.666667 Te\n0.730892 0.730892 0.000000 Te\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Te"
],
"chemical_system": "Te",
"density": 6.0612779692512415,
"density_atomic": 0.02860648050856755,
"volume": 104.87134197097436,
"volume_molar": 21.051666101310115,
"formula_full": "Te3",
"formula_reduced": "Te",
"formula_anonymous": "A",
"energy": -9.42984729,
"energy_per_atom": -3.1432824299999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.42984729,
"band_gap": 0.5124000000000004,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 5.31e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.070000Z",
"spacegroup": 154
}
]
}