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{
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"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001935,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.575000Z",
"spacegroup": 4
},
{
"id": "mp-202",
"created_at": "2022-09-04T14:46:32.932504Z",
"structure_string": "Ta12 Te48\n1.0\n9.374018 0.000000 0.000000\n0.000000 9.374018 0.000000\n0.000000 0.000000 20.909906\nTa Te\n12 48\ndirect\n0.500000 0.000000 0.931216 Ta\n0.000000 0.500000 0.568784 Ta\n0.000000 0.500000 0.068784 Ta\n0.500000 0.000000 0.431216 Ta\n0.500000 0.000000 0.236346 Ta\n0.000000 0.500000 0.263654 Ta\n0.000000 0.500000 0.763654 Ta\n0.500000 0.000000 0.736346 Ta\n0.500000 0.000000 0.084480 Ta\n0.000000 0.500000 0.415520 Ta\n0.000000 0.500000 0.915520 Ta\n0.500000 0.000000 0.584480 Ta\n0.737091 0.908235 0.003348 Te\n0.262909 0.091765 0.003348 Te\n0.908235 0.737091 0.496652 Te\n0.408235 0.762909 0.003348 Te\n0.591765 0.237091 0.003348 Te\n0.762909 0.408235 0.496652 Te\n0.237091 0.591765 0.496652 Te\n0.091765 0.262909 0.496652 Te\n0.762909 0.591765 0.996652 Te\n0.237091 0.408235 0.996652 Te\n0.591765 0.762909 0.503348 Te\n0.091765 0.737091 0.996652 Te\n0.259023 0.084538 0.664432 Te\n0.415462 0.759023 0.664432 Te\n0.584538 0.240977 0.664432 Te\n0.759023 0.415462 0.835568 Te\n0.240977 0.584538 0.835568 Te\n0.740977 0.915462 0.664432 Te\n0.084538 0.259023 0.835568 Te\n0.915462 0.740977 0.835568 Te\n0.240977 0.415462 0.335568 Te\n0.084538 0.740977 0.335568 Te\n0.915462 0.259023 0.335568 Te\n0.740977 0.084538 0.164432 Te\n0.259023 0.915462 0.164432 Te\n0.759023 0.584538 0.335568 Te\n0.415462 0.240977 0.164432 Te\n0.584538 0.759023 0.164432 Te\n0.713246 0.095894 0.833930 Te\n0.404106 0.213246 0.833930 Te\n0.595894 0.786754 0.833930 Te\n0.213246 0.404106 0.666070 Te\n0.786754 0.595894 0.666070 Te\n0.286754 0.904106 0.833930 Te\n0.095894 0.713246 0.666070 Te\n0.904106 0.286754 0.666070 Te\n0.786754 0.404106 0.166070 Te\n0.095894 0.286754 0.166070 Te\n0.904106 0.713246 0.166070 Te\n0.286754 0.095894 0.333930 Te\n0.713246 0.904106 0.333930 Te\n0.213246 0.595894 0.166070 Te\n0.404106 0.786754 0.333930 Te\n0.595894 0.213246 0.333930 Te\n0.408235 0.237091 0.503348 Te\n0.262909 0.908235 0.503348 Te\n0.737091 0.091765 0.503348 Te\n0.908235 0.262909 0.996652 Te\n",
"nsites": 60,
"nelements": 2,
"elements": [
"Ta",
"Te"
],
"chemical_system": "Ta-Te",
"density": 7.497618391707062,
"density_atomic": 0.032654843271688494,
"volume": 1837.399723550949,
"volume_molar": 18.4417996126815,
"formula_full": "Ta12 Te48",
"formula_reduced": "TaTe4",
"formula_anonymous": "AB4",
"energy": -329.09626213,
"energy_per_atom": -5.4849377021666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -308.84026213,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.007616,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:38.426000Z",
"spacegroup": 130
}
]
}