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{
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"structure_string": "Co8 Si4 O16\n1.0\n4.868089 0.000000 0.000000\n0.000000 5.915128 0.000000\n0.000000 0.000000 10.155555\nCo Si O\n8 4 16\ndirect\n0.507258 0.250000 0.230573 Co\n0.992742 0.250000 0.730573 Co\n0.492742 0.750000 0.769427 Co\n0.007258 0.750000 0.269427 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.569367 0.750000 0.093910 Si\n0.069367 0.250000 0.406090 Si\n0.430633 0.250000 0.906090 Si\n0.930633 0.750000 0.593910 Si\n0.732612 0.250000 0.408180 O\n0.232612 0.750000 0.091820 O\n0.791064 0.750000 0.443839 O\n0.291064 0.250000 0.056161 O\n0.208936 0.250000 0.556161 O\n0.708936 0.750000 0.943839 O\n0.716319 0.971368 0.164962 O\n0.716319 0.528633 0.164962 O\n0.283681 0.471367 0.835038 O\n0.783681 0.528633 0.664963 O\n0.283681 0.028633 0.835038 O\n0.783681 0.971368 0.664963 O\n0.267388 0.750000 0.591820 O\n0.216319 0.471367 0.335038 O\n0.216319 0.028633 0.335038 O\n0.767388 0.250000 0.908181 O\n",
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"created_at": "2022-09-04T14:36:18.126377Z",
"updated_at": "2022-09-04T14:36:18.126402Z",
"structure_string": "Cr10 S16\n1.0\n0.000000 6.684612 0.000000\n-0.084250 0.000000 10.909731\n5.653279 -3.342306 -0.124827\nCr S\n10 16\ndirect\n0.000003 -0.000001 0.000005 Cr\n0.957536 0.247355 0.500863 Cr\n0.042463 0.752647 0.499135 Cr\n0.456671 0.752647 0.499135 Cr\n0.524472 0.234232 0.048946 Cr\n0.543326 0.247355 0.500863 Cr\n0.976994 0.257437 0.953991 Cr\n0.023004 0.742560 0.046008 Cr\n0.500000 0.500000 0.000001 Cr\n0.475526 0.765770 0.951053 Cr\n0.662887 0.627346 0.828750 S\n0.835597 0.878012 0.168726 S\n0.666872 0.121986 0.831273 S\n0.164400 0.121986 0.831273 S\n0.337108 0.372654 0.171249 S\n0.834141 0.372654 0.171249 S\n0.165860 0.627346 0.828750 S\n0.172494 0.608152 0.344988 S\n0.674581 0.102305 0.349163 S\n0.341395 0.348088 0.682792 S\n0.658607 0.651909 0.317214 S\n0.333129 0.878012 0.168726 S\n0.827506 0.391849 0.655014 S\n0.158362 0.144278 0.316723 S\n0.325417 0.897699 0.650837 S\n0.841639 0.855718 0.683280 S\n",
"nsites": 26,
"nelements": 2,
"elements": [
"Cr",
"S"
],
"chemical_system": "Cr-S",
"density": 4.161340314156054,
"density_atomic": 0.06307492494199295,
"volume": 412.2081797784299,
"volume_molar": 9.547598773265731,
"formula_full": "Cr10 S16",
"formula_reduced": "Cr5S8",
"formula_anonymous": "A5B8",
"energy_above_hull": 3.637741307692308,
"spacegroup": 12
}
]
}