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{
"id": "mp-1268079",
"created_at": "2022-09-04T14:47:01.161454Z",
"structure_string": "Si64 O128\n1.0\n12.958825 -0.000160 -2.882079\n-0.000290 22.011220 -0.000087\n0.014597 -0.000056 13.937509\nSi O\n64 128\ndirect\n0.573327 0.168982 0.190891 Si\n0.891624 0.668971 0.282142 Si\n0.391630 0.837723 0.782130 Si\n0.073315 0.337722 0.690875 Si\n0.617490 0.170137 0.425360 Si\n0.847459 0.670123 0.047666 Si\n0.347463 0.836561 0.547667 Si\n0.117481 0.336576 0.925354 Si\n0.681280 0.574501 0.946987 Si\n0.783646 0.074505 0.526046 Si\n0.283642 0.432198 0.026047 Si\n0.181298 0.932192 0.446989 Si\n0.647957 0.497200 0.118140 Si\n0.816936 0.997197 0.354907 Si\n0.316938 0.509495 0.854910 Si\n0.147961 0.009497 0.618134 Si\n0.644533 0.304629 0.204537 Si\n0.820410 0.804616 0.268496 Si\n0.320415 0.702079 0.768516 Si\n0.144528 0.202073 0.704554 Si\n0.670570 0.309456 0.432897 Si\n0.794343 0.809439 0.040134 Si\n0.294358 0.697241 0.540154 Si\n0.170571 0.197255 0.932919 Si\n0.484976 0.409348 0.181747 Si\n0.979936 0.909360 0.291276 Si\n0.479935 0.597337 0.791280 Si\n0.984978 0.097344 0.681748 Si\n0.447589 0.100295 0.507016 Si\n0.017324 0.600282 0.965978 Si\n0.517318 0.906419 0.465977 Si\n0.947593 0.406420 0.007031 Si\n0.754214 0.555601 0.317016 Si\n0.710738 0.055615 0.156043 Si\n0.210741 0.451088 0.656036 Si\n0.254226 0.951096 0.817011 Si\n0.356087 0.002651 0.363700 Si\n0.108838 0.502656 0.109317 Si\n0.608827 0.004061 0.609307 Si\n0.856079 0.504053 0.863702 Si\n0.129278 0.503401 0.341124 Si\n0.335662 0.003402 0.131916 Si\n0.835677 0.503311 0.631915 Si\n0.629262 0.003289 0.841111 Si\n0.806621 0.388139 0.148813 Si\n0.658308 0.888116 0.324233 Si\n0.158323 0.618584 0.824231 Si\n0.306615 0.118571 0.648807 Si\n0.517282 0.418474 0.414982 Si\n0.947637 0.918478 0.058039 Si\n0.447632 0.588207 0.558048 Si\n0.017277 0.088221 0.914985 Si\n0.870904 0.376104 0.543362 Si\n0.594016 0.876085 0.929689 Si\n0.094033 0.630613 0.429677 Si\n0.370918 0.130610 0.043366 Si\n0.326925 0.464297 0.490098 Si\n0.138005 0.964304 0.982925 Si\n0.638013 0.542398 0.482938 Si\n0.826908 0.042392 0.990097 Si\n0.910655 0.442607 0.354954 Si\n0.554307 0.942613 0.118099 Si\n0.054331 0.564093 0.618094 Si\n0.410655 0.064100 0.854950 Si\n0.620772 0.534581 0.015402 O\n0.844164 0.034566 0.457658 O\n0.344171 0.472130 0.957660 O\n0.120778 0.972119 0.515393 O\n0.574395 0.161660 0.307442 O\n0.890567 0.661656 0.165587 O\n0.390585 0.845044 0.665582 O\n0.074407 0.345048 0.807434 O\n0.879096 0.400176 0.257377 O\n0.585847 0.900169 0.215659 O\n0.085877 0.606547 0.715645 O\n0.379104 0.106528 0.757372 O\n0.642107 0.240377 0.456194 O\n0.822885 0.740370 0.016852 O\n0.322902 0.766312 0.516876 O\n0.142090 0.266334 0.956186 O\n0.528703 0.149058 0.481615 O\n0.936210 0.649037 0.991385 O\n0.436203 0.857662 0.491379 O\n0.028704 0.357663 0.981609 O\n0.731498 0.330149 0.149384 O\n0.733466 0.830141 0.323677 O\n0.233476 0.676569 0.823717 O\n0.231471 0.176548 0.649373 O\n0.739491 0.449040 0.113136 O\n0.725409 0.949033 0.359897 O\n0.225411 0.557661 0.859904 O\n0.239496 0.057658 0.613150 O\n0.623854 0.234165 0.173201 O\n0.841109 0.734155 0.299840 O\n0.341112 0.772541 0.799830 O\n0.123840 0.272536 0.673211 O\n0.415079 0.420685 0.461711 O\n0.049828 0.920692 0.011289 O\n0.549834 0.585994 0.511318 O\n0.915065 0.085998 0.961696 O\n0.919760 0.399798 0.451833 O\n0.545190 0.899802 0.021219 O\n0.045192 0.606899 0.521206 O\n0.419754 0.106914 0.951824 O\n0.375135 0.135028 0.569307 O\n0.089771 0.635042 0.903704 O\n0.589771 0.871649 0.403716 O\n0.875142 0.371678 0.069317 O\n0.545991 0.462570 0.136395 O\n0.918899 0.962591 0.336592 O\n0.418895 0.544105 0.836588 O\n0.045981 0.044115 0.636390 O\n0.597448 0.601239 0.854456 O\n0.867451 0.101245 0.618597 O\n0.367441 0.405469 0.118611 O\n0.097452 0.905473 0.354449 O\n0.721618 0.129794 0.461415 O\n0.743327 0.629787 0.011621 O\n0.243332 0.876899 0.511616 O\n0.221618 0.376907 0.961419 O\n0.484513 0.425415 0.295751 O\n0.980448 0.925430 0.177277 O\n0.480445 0.581267 0.677283 O\n0.984515 0.081273 0.795753 O\n0.379694 0.071530 0.405523 O\n0.085260 0.571532 0.067465 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"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 1.6058095267023924,
"density_atomic": 0.04828421571138886,
"volume": 3976.454772459164,
"volume_molar": 12.472276232043155,
"formula_full": "Si64 O128",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy": -1605.00246503,
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"band_gap": 5.6649,
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"updated_at": "2021-11-28T01:37:47.365000Z",
"spacegroup": 14
},
{
"id": "mp-1197507",
"created_at": "2022-09-04T14:46:38.296763Z",
"structure_string": "Sr8 Mo32 H32 O120\n1.0\n0.000000 7.634800 -0.000000\n0.000000 0.000000 15.856049\n19.800902 0.000000 0.000000\nSr Mo H O\n8 32 32 120\ndirect\n0.627869 0.617049 0.965411 Sr\n0.872131 0.117049 0.534589 Sr\n0.872131 0.382951 0.465411 Sr\n0.627869 0.882951 0.034589 Sr\n0.372131 0.382951 0.034589 Sr\n0.127869 0.882951 0.465411 Sr\n0.127869 0.617049 0.534589 Sr\n0.372131 0.117049 0.965411 Sr\n0.872153 0.475042 0.114023 Mo\n0.627847 0.975042 0.385977 Mo\n0.627847 0.524958 0.614023 Mo\n0.872153 0.024958 0.885977 Mo\n0.127847 0.524958 0.885977 Mo\n0.372153 0.024958 0.614023 Mo\n0.372153 0.475042 0.385977 Mo\n0.127847 0.975042 0.114023 Mo\n0.969490 0.680918 0.104383 Mo\n0.530510 0.180918 0.395617 Mo\n0.530510 0.319082 0.604383 Mo\n0.969490 0.819082 0.895617 Mo\n0.030510 0.319082 0.895617 Mo\n0.469490 0.819082 0.604383 Mo\n0.469490 0.680918 0.395617 Mo\n0.030510 0.180918 0.104383 Mo\n0.149253 0.611518 0.246263 Mo\n0.350747 0.111518 0.253737 Mo\n0.350747 0.388482 0.746263 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O\n0.829120 0.208623 0.305815 O\n0.375510 0.813713 0.224308 O\n0.124490 0.313713 0.275692 O\n0.124490 0.186287 0.724308 O\n0.375510 0.686287 0.775692 O\n0.624490 0.186287 0.775692 O\n0.875510 0.686287 0.724308 O\n0.875510 0.813713 0.275692 O\n0.624490 0.313713 0.224308 O\n0.176782 0.880627 0.328939 O\n0.323218 0.380627 0.171061 O\n0.323218 0.119373 0.828939 O\n0.176782 0.619373 0.671061 O\n0.823218 0.119373 0.671061 O\n0.676782 0.619373 0.828939 O\n0.676782 0.880627 0.171061 O\n0.823218 0.380627 0.328939 O\n0.493499 0.738437 0.072361 O\n0.006501 0.238437 0.427639 O\n0.006501 0.261563 0.572361 O\n0.493499 0.761563 0.927639 O\n0.506501 0.261563 0.927639 O\n0.993499 0.761563 0.572361 O\n0.993499 0.738437 0.427639 O\n0.506501 0.238437 0.072361 O\n0.908899 0.541982 0.431306 O\n0.591101 0.041981 0.068694 O\n0.591101 0.458018 0.931306 O\n0.908899 0.958018 0.568694 O\n0.091101 0.458018 0.568694 O\n0.408899 0.958018 0.931306 O\n0.408899 0.541982 0.068694 O\n0.091101 0.041981 0.431306 O\n",
"nsites": 192,
"nelements": 4,
"elements": [
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"Mo",
"H",
"O"
],
"chemical_system": "H-Mo-O-Sr",
"density": 3.9647159443807345,
"density_atomic": 0.08009835745803892,
"volume": 2397.0528996251005,
"volume_molar": 7.518432276410681,
"formula_full": "Sr8 Mo32 H32 O120",
"formula_reduced": "SrMo4H4O15",
"formula_anonymous": "AB4C4D15",
"energy": -1434.83096467,
"energy_per_atom": -7.473077940989583,
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"updated_at": "2021-11-28T01:37:38.504000Z",
"spacegroup": 60
},
{
"id": "mp-600054",
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{
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"density": 3.4791740682698378,
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"formula_full": "Cs16 Er8 Si48 O112 F8",
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{
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"updated_at": "2021-11-28T01:40:04.386000Z",
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},
{
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{
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