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"updated_at": "2021-11-28T01:34:34.160000Z",
"spacegroup": 1
},
{
"id": "mp-1313604",
"created_at": "2022-09-04T14:47:42.925531Z",
"structure_string": "Co6 Te2 O16\n1.0\n-5.203695 -1.559888 2.563305\n-1.775092 -9.957528 -2.574112\n5.206054 -1.573164 2.559481\nCo Te O\n6 2 16\ndirect\n0.504466 0.752355 0.252232 Co\n0.003693 0.748139 0.752454 Co\n0.503115 0.999179 0.503298 Co\n0.499456 0.248175 0.748150 Co\n0.995473 0.252338 0.243265 Co\n0.497640 0.499154 0.997576 Co\n0.004096 0.999174 0.005958 Te\n0.994889 0.499129 0.496697 Te\n0.289670 0.143193 0.606919 O\n0.249661 0.643161 0.066900 O\n0.715378 0.356817 0.892375 O\n0.750991 0.856824 0.428166 O\n0.764902 0.623585 0.601406 O\n0.774730 0.123613 0.111267 O\n0.256350 0.885043 0.350702 O\n0.255860 0.383356 0.843888 O\n0.772390 0.883402 0.860556 O\n0.763995 0.385029 0.358302 O\n0.221537 0.618800 0.634165 O\n0.239205 0.113193 0.150481 O\n0.736578 0.613208 0.147851 O\n0.747245 0.118836 0.659930 O\n0.234210 0.877148 0.898634 O\n0.224471 0.377147 0.388829 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
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"Te",
"O"
],
"chemical_system": "Co-O-Te",
"density": 4.669221260604873,
"density_atomic": 0.07803620762169297,
"volume": 307.5495431088624,
"volume_molar": 7.717110996980239,
"formula_full": "Co6 Te2 O16",
"formula_reduced": "Co3TeO8",
"formula_anonymous": "AB3C8",
"energy": -156.38244362,
"energy_per_atom": -6.515935150833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -135.56244362,
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"updated_at": "2021-11-28T01:38:21.921000Z",
"spacegroup": 15
},
{
"id": "mp-1275718",
"created_at": "2022-09-04T14:45:27.429686Z",
"structure_string": "Co6 Te2 O16\n1.0\n1.667065 -2.551951 -4.951157\n1.628110 -5.838435 0.109971\n-10.577574 -0.195581 -0.036597\nCo Te O\n6 2 16\ndirect\n0.999997 0.499997 0.500002 Co\n0.500003 0.999995 0.500001 Co\n0.500018 0.499977 0.999998 Co\n0.500021 0.000001 0.999997 Co\n0.999994 0.500013 0.000005 Co\n0.000000 0.000005 0.500002 Co\n0.999930 0.000018 0.999994 Te\n0.500022 0.499999 0.500003 Te\n0.132272 0.153667 0.420789 O\n0.625081 0.654573 0.918316 O\n0.374929 0.345420 0.081681 O\n0.867732 0.846330 0.579214 O\n0.647205 0.608693 0.395051 O\n0.141820 0.123458 0.897875 O\n0.138153 0.606426 0.394497 O\n0.638249 0.104314 0.894169 O\n0.633538 0.142962 0.408870 O\n0.139553 0.650307 0.905393 O\n0.860469 0.349694 0.094614 O\n0.366464 0.857036 0.591131 O\n0.361713 0.895702 0.105798 O\n0.861850 0.393573 0.605509 O\n0.858198 0.876528 0.102143 O\n0.352791 0.391311 0.604949 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
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"Te",
"O"
],
"chemical_system": "Co-O-Te",
"density": 4.624092010065826,
"density_atomic": 0.07728196716738213,
"volume": 310.55110111288053,
"volume_molar": 7.7924268503114975,
"formula_full": "Co6 Te2 O16",
"formula_reduced": "Co3TeO8",
"formula_anonymous": "AB3C8",
"energy": -157.15643817,
"energy_per_atom": -6.54818492375,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -136.33643817,
"band_gap": 0.6437000000000002,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:58Z",
"spacegroup": 12
}
]
}