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{
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{
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{
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"energy_uncorrected": -292.42145886,
"band_gap": 3.5371999999999995,
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"is_magnetic": false,
"total_magnetization": 3.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.733000Z",
"spacegroup": 19
},
{
"id": "mp-778379",
"created_at": "2022-09-04T14:39:41.459797Z",
"structure_string": "Tb16 W8 O48\n1.0\n5.633012 0.000000 0.000000\n0.000000 10.671040 0.000000\n0.000000 0.000000 16.214305\nTb W O\n16 8 48\ndirect\n0.898758 0.641884 0.061848 Tb\n0.398758 0.858116 0.061848 Tb\n0.948974 0.854829 0.230549 Tb\n0.448974 0.645171 0.230549 Tb\n0.948974 0.354829 0.269451 Tb\n0.448974 0.145171 0.269451 Tb\n0.398758 0.358116 0.438152 Tb\n0.898758 0.141884 0.438152 Tb\n0.101242 0.858116 0.561848 Tb\n0.601242 0.641884 0.561848 Tb\n0.551026 0.854829 0.730549 Tb\n0.051026 0.645171 0.730549 Tb\n0.551026 0.354829 0.769451 Tb\n0.051026 0.145171 0.769451 Tb\n0.101242 0.358116 0.938152 Tb\n0.601242 0.141884 0.938152 Tb\n0.389409 0.379068 0.119874 W\n0.889409 0.120932 0.119874 W\n0.389409 0.879068 0.380126 W\n0.889409 0.620932 0.380126 W\n0.110591 0.379068 0.619874 W\n0.610591 0.120932 0.619874 W\n0.110591 0.879068 0.880126 W\n0.610591 0.620932 0.880126 W\n0.919294 0.215526 0.022254 O\n0.419294 0.284474 0.022254 O\n0.122906 0.458493 0.072347 O\n0.622906 0.041507 0.072347 O\n0.094216 0.988794 0.106868 O\n0.594216 0.511206 0.106868 O\n0.675632 0.769962 0.146549 O\n0.175632 0.730038 0.146549 O\n0.658757 0.268878 0.170711 O\n0.158757 0.231122 0.170711 O\n0.816547 0.059291 0.230978 O\n0.316547 0.440709 0.230978 O\n0.316547 0.940709 0.269022 O\n0.816547 0.559291 0.269022 O\n0.658757 0.768878 0.329289 O\n0.158757 0.731122 0.329289 O\n0.675632 0.269962 0.353451 O\n0.175632 0.230038 0.353451 O\n0.094216 0.488794 0.393132 O\n0.594216 0.011206 0.393132 O\n0.122906 0.958493 0.427653 O\n0.622906 0.541507 0.427653 O\n0.419294 0.784474 0.477746 O\n0.919294 0.715526 0.477746 O\n0.080706 0.284474 0.522254 O\n0.580706 0.215526 0.522254 O\n0.377094 0.458493 0.572347 O\n0.877094 0.041507 0.572347 O\n0.405784 0.988794 0.606868 O\n0.905784 0.511206 0.606868 O\n0.824368 0.769962 0.646549 O\n0.324368 0.730038 0.646549 O\n0.841243 0.268878 0.670711 O\n0.341243 0.231122 0.670711 O\n0.183453 0.440709 0.730978 O\n0.683453 0.059291 0.730978 O\n0.183453 0.940709 0.769022 O\n0.683453 0.559291 0.769022 O\n0.841243 0.768878 0.829289 O\n0.341243 0.731122 0.829289 O\n0.824368 0.269962 0.853451 O\n0.324368 0.230038 0.853451 O\n0.405784 0.488794 0.893132 O\n0.905784 0.011206 0.893132 O\n0.377094 0.958493 0.927653 O\n0.877094 0.541507 0.927653 O\n0.080706 0.784474 0.977746 O\n0.580706 0.715526 0.977746 O\n",
"nsites": 72,
"nelements": 3,
"elements": [
"Tb",
"W",
"O"
],
"chemical_system": "O-Tb-W",
"density": 8.146427645870666,
"density_atomic": 0.07387316974448348,
"volume": 974.6434361627842,
"volume_molar": 8.151999949142168,
"formula_full": "Tb16 W8 O48",
"formula_reduced": "Tb2WO6",
"formula_anonymous": "AB2C6",
"energy": -653.2076615799999,
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"energy_uncorrected": -584.72766158,
"band_gap": 2.9538,
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"total_magnetization": 0.0002598,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.336000Z",
"spacegroup": 61
}
]
}