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"nsites": 10,
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"elements": [
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"Co",
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],
"chemical_system": "Co-Si-Y",
"density": 5.131461212563427,
"density_atomic": 0.05274958147494257,
"volume": 189.57496382696917,
"volume_molar": 11.416471167379166,
"formula_full": "Y4 Co2 Si4",
"formula_reduced": "Y2CoSi2",
"formula_anonymous": "AB2C2",
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"band_gap": 0.0,
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"is_magnetic": false,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:37.156000Z",
"spacegroup": 12
},
{
"id": "mp-1190505",
"created_at": "2022-09-04T14:41:24.567645Z",
"structure_string": "Y8 Co4 Te8 S8 O56\n1.0\n0.005801 0.036975 8.179427\n4.219417 14.223251 0.212931\n-10.178531 -0.009080 -3.094092\nY Co Te S O\n8 4 8 8 56\ndirect\n0.106676 0.123856 0.352628 Y\n0.606614 0.623809 0.602638 Y\n0.106662 0.123916 0.852645 Y\n0.606747 0.623904 0.102610 Y\n0.393320 0.376075 0.397377 Y\n0.893385 0.876174 0.647365 Y\n0.393344 0.376156 0.897351 Y\n0.893255 0.876109 0.147388 Y\n0.750012 0.249998 0.374991 Co\n0.249999 0.750000 0.125002 Co\n0.250002 0.750001 0.625000 Co\n0.749987 0.250002 0.875007 Co\n0.774872 0.114546 0.065500 Te\n0.275038 0.614463 0.315484 Te\n0.774894 0.114560 0.565528 Te\n0.274892 0.614572 0.815521 Te\n0.725157 0.385426 0.684501 Te\n0.224967 0.885535 0.934523 Te\n0.725076 0.385465 0.184464 Te\n0.225101 0.885433 0.434480 Te\n0.375806 0.127806 0.195634 S\n0.876048 0.627913 0.445737 S\n0.375879 0.127861 0.695688 S\n0.875789 0.627803 0.945633 S\n0.124176 0.372177 0.554338 S\n0.623941 0.872083 0.804258 S\n0.124139 0.372158 0.054341 S\n0.624228 0.872199 0.304373 S\n0.925829 0.030817 0.141515 O\n0.426029 0.530784 0.391469 O\n0.925863 0.030896 0.641575 O\n0.425826 0.530850 0.891604 O\n0.574163 0.469113 0.608413 O\n0.073979 0.969204 0.858522 O\n0.574142 0.469172 0.108494 O\n0.074169 0.969166 0.358412 O\n0.880915 0.212327 0.230741 O\n0.380873 0.712312 0.480607 O\n0.880832 0.212395 0.730686 O\n0.380977 0.712338 0.980793 O\n0.619119 0.287631 0.519266 O\n0.119136 0.787682 0.769405 O\n0.619124 0.287649 0.019297 O\n0.119025 0.787666 0.269205 O\n0.328186 0.115601 0.545945 O\n0.828106 0.615581 0.795898 O\n0.328133 0.115593 0.045893 O\n0.828379 0.615632 0.295992 O\n0.171817 0.384399 0.204085 O\n0.671898 0.884421 0.454113 O\n0.171868 0.384408 0.704074 O\n0.671612 0.884365 0.953996 O\n0.565107 0.136974 0.250829 O\n0.065443 0.637100 0.500916 O\n0.565191 0.137025 0.750861 O\n0.065051 0.636967 0.000834 O\n0.934882 0.363013 0.499168 O\n0.434557 0.862895 0.749079 O\n0.934819 0.362990 0.999144 O\n0.434950 0.863035 0.249168 O\n0.903240 0.153985 0.464520 O\n0.403258 0.653758 0.714408 O\n0.903208 0.153926 0.964482 O\n0.403280 0.654002 0.214506 O\n0.596766 0.346013 0.285485 O\n0.096741 0.846242 0.535596 O\n0.596789 0.346077 0.785511 O\n0.096713 0.845995 0.035492 O\n0.301390 0.047647 0.223940 O\n0.801776 0.547730 0.474116 O\n0.301484 0.047700 0.724047 O\n0.801335 0.547656 0.973955 O\n0.198596 0.452316 0.525983 O\n0.698221 0.952264 0.775867 O\n0.198532 0.452339 0.026033 O\n0.698667 0.952349 0.276059 O\n0.298348 0.212770 0.266920 O\n0.798569 0.712844 0.516981 O\n0.298396 0.212818 0.766938 O\n0.798305 0.712781 0.016907 O\n0.201629 0.287193 0.483066 O\n0.701439 0.787147 0.733019 O\n0.201619 0.287220 0.983070 O\n0.701694 0.787229 0.233098 O\n",
"nsites": 84,
"nelements": 5,
"elements": [
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"Te",
"S",
"O"
],
"chemical_system": "Co-O-S-Te-Y",
"density": 4.3761758647349644,
"density_atomic": 0.0709468861623363,
"volume": 1183.9843091604664,
"volume_molar": 8.488238294518673,
"formula_full": "Y8 Co4 Te8 S8 O56",
"formula_reduced": "Y2CoTe2(SO7)2",
"formula_anonymous": "AB2C2D2E14",
"energy": -611.3444273,
"energy_per_atom": -7.277909848809524,
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"energy_uncorrected": -566.3204273,
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"total_magnetization": 6.84e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:16.530000Z",
"spacegroup": 2
}
]
}