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{
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"spacegroup": 5
},
{
"id": "mp-766445",
"created_at": "2022-09-04T14:40:30.183340Z",
"structure_string": "Mn8 Co4 O16\n1.0\n6.164401 0.000000 0.000000\n0.649550 6.163320 0.000000\n0.059292 0.006649 8.270544\nMn Co O\n8 4 16\ndirect\n0.001049 0.005592 0.004108 Mn\n0.494490 0.250683 0.877119 Mn\n0.008177 0.256413 0.375662 Mn\n0.494444 0.744457 0.874450 Mn\n0.748555 0.000789 0.623079 Mn\n0.003826 0.748898 0.373507 Mn\n0.748764 0.501524 0.126638 Mn\n0.251516 0.999258 0.622901 Mn\n0.001428 0.501323 0.751468 Co\n0.498748 0.498556 0.498439 Co\n0.250674 0.499496 0.126675 Co\n0.498556 0.995682 0.246725 Co\n0.008235 0.234129 0.613885 O\n0.270712 0.990665 0.859158 O\n0.733373 0.509400 0.890456 O\n0.767114 0.992026 0.381645 O\n0.263416 0.491687 0.890872 O\n0.507697 0.235151 0.636452 O\n0.726575 0.006856 0.863163 O\n0.766612 0.490088 0.362315 O\n0.493072 0.763801 0.634610 O\n0.007904 0.727533 0.139159 O\n0.990714 0.766950 0.612699 O\n0.492915 0.265088 0.114231 O\n0.237047 0.508723 0.361676 O\n0.023111 0.292078 0.136393 O\n0.233609 0.009031 0.385808 O\n0.477665 0.714126 0.116710 O\n",
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"elements": [
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"volume": 314.22423357054475,
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"formula_full": "Mn8 Co4 O16",
"formula_reduced": "Mn2CoO4",
"formula_anonymous": "AB2C4",
"energy": -231.4028692,
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},
{
"id": "mp-774848",
"created_at": "2022-09-04T14:40:30.206781Z",
"structure_string": "H40 Se4 O32\n1.0\n6.265855 0.000000 0.000000\n0.000000 9.297973 0.000000\n0.000000 0.000000 12.786575\nH Se O\n40 4 32\ndirect\n0.012441 0.201285 0.107041 H\n0.012441 0.201285 0.392959 H\n0.057561 0.367863 0.144197 H\n0.057561 0.367863 0.355803 H\n0.064022 0.332300 0.009239 H\n0.064022 0.332300 0.490761 H\n0.121992 0.293029 0.642694 H\n0.121992 0.293029 0.857306 H\n0.235018 0.923709 0.099532 H\n0.235018 0.923709 0.400468 H\n0.264982 0.423709 0.599532 H\n0.264982 0.423709 0.900468 H\n0.378008 0.793029 0.142694 H\n0.378008 0.793029 0.357306 H\n0.435978 0.832300 0.509239 H\n0.435978 0.832300 0.990761 H\n0.442439 0.867863 0.644197 H\n0.442439 0.867863 0.855803 H\n0.487559 0.701285 0.607041 H\n0.487559 0.701285 0.892959 H\n0.512441 0.298715 0.107041 H\n0.512441 0.298715 0.392959 H\n0.557561 0.132137 0.144197 H\n0.557561 0.132137 0.355803 H\n0.564022 0.167700 0.009239 H\n0.564022 0.167700 0.490761 H\n0.621992 0.206971 0.642694 H\n0.621992 0.206971 0.857306 H\n0.735018 0.576291 0.099532 H\n0.735018 0.576291 0.400468 H\n0.764982 0.076291 0.599532 H\n0.764982 0.076291 0.900468 H\n0.878008 0.706971 0.142694 H\n0.878008 0.706971 0.357306 H\n0.935978 0.667700 0.509239 H\n0.935978 0.667700 0.990761 H\n0.942439 0.632137 0.644197 H\n0.942439 0.632137 0.855803 H\n0.987559 0.798715 0.607041 H\n0.987559 0.798715 0.892959 H\n0.106557 0.014625 0.750000 Se\n0.393443 0.514625 0.250000 Se\n0.606557 0.485375 0.750000 Se\n0.893443 0.985375 0.250000 Se\n0.007829 0.693496 0.586663 O\n0.007829 0.693496 0.913337 O\n0.021079 0.035935 0.140223 O\n0.021079 0.035935 0.359777 O\n0.122531 0.192769 0.750000 O\n0.133871 0.366548 0.585789 O\n0.133871 0.366548 0.914211 O\n0.151382 0.435683 0.250000 O\n0.348618 0.935683 0.750000 O\n0.366129 0.866548 0.085789 O\n0.366129 0.866548 0.414211 O\n0.377469 0.692769 0.250000 O\n0.478921 0.535935 0.640223 O\n0.478921 0.535935 0.859777 O\n0.492171 0.193496 0.086663 O\n0.492171 0.193496 0.413337 O\n0.507829 0.806504 0.586663 O\n0.507829 0.806504 0.913337 O\n0.521079 0.464065 0.140223 O\n0.521079 0.464065 0.359777 O\n0.622531 0.307231 0.750000 O\n0.633871 0.133452 0.585789 O\n0.633871 0.133452 0.914211 O\n0.651382 0.064317 0.250000 O\n0.848618 0.564317 0.750000 O\n0.866129 0.633452 0.085789 O\n0.866129 0.633452 0.414211 O\n0.877469 0.807231 0.250000 O\n0.978921 0.964065 0.640223 O\n0.978921 0.964065 0.859777 O\n0.992171 0.306504 0.086663 O\n0.992171 0.306504 0.413337 O\n",
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"elements": [
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],
"chemical_system": "H-O-Se",
"density": 1.9351525763702795,
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"volume": 744.942670680547,
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"formula_full": "H40 Se4 O32",
"formula_reduced": "H10SeO8",
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"energy": -401.21146524,
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"updated_at": "2021-11-28T01:34:58.411000Z",
"spacegroup": 62
},
{
"id": "mp-1198868",
"created_at": "2022-09-04T14:40:30.196077Z",
"structure_string": "U4 Zn16 P8 H24 O60\n1.0\n6.685052 0.000000 0.000000\n0.000000 9.049831 0.000000\n0.000000 0.000000 19.827006\nU Zn P H O\n4 16 8 24 60\ndirect\n0.353246 0.000000 0.250000 U\n0.146754 0.500000 0.750000 U\n0.646754 0.000000 0.750000 U\n0.853246 0.500000 0.250000 U\n0.638012 0.046828 0.419663 Zn\n0.861988 0.453172 0.919663 Zn\n0.861988 0.546828 0.580337 Zn\n0.638012 0.953172 0.080337 Zn\n0.361988 0.953172 0.580337 Zn\n0.138012 0.546828 0.080337 Zn\n0.138012 0.453172 0.419663 Zn\n0.361988 0.046828 0.919663 Zn\n0.910555 0.771938 0.445962 Zn\n0.589445 0.728062 0.945962 Zn\n0.589445 0.271938 0.554038 Zn\n0.910555 0.228062 0.054038 Zn\n0.089445 0.228062 0.554038 Zn\n0.410555 0.271938 0.054038 Zn\n0.410555 0.728062 0.445962 Zn\n0.089445 0.771938 0.945962 Zn\n0.840782 0.914977 0.581531 P\n0.659218 0.585023 0.081531 P\n0.659218 0.414977 0.418469 P\n0.840782 0.085023 0.918469 P\n0.159218 0.085023 0.418469 P\n0.340782 0.414977 0.918469 P\n0.340782 0.585023 0.581531 P\n0.159218 0.914977 0.081531 P\n0.640553 0.189155 0.315787 H\n0.859447 0.310845 0.815787 H\n0.859447 0.689155 0.684213 H\n0.640553 0.810845 0.184213 H\n0.359447 0.810845 0.684213 H\n0.140553 0.689155 0.184213 H\n0.140553 0.310845 0.315787 H\n0.359447 0.189155 0.815787 H\n0.150712 0.706615 0.357974 H\n0.349288 0.793385 0.857974 H\n0.349288 0.206615 0.642026 H\n0.150712 0.293385 0.142026 H\n0.849288 0.293385 0.642026 H\n0.650712 0.206615 0.142026 H\n0.650712 0.793385 0.357974 H\n0.849288 0.706615 0.857974 H\n0.887209 0.964620 0.214447 H\n0.612791 0.535380 0.714447 H\n0.612791 0.464620 0.785553 H\n0.887209 0.035380 0.285553 H\n0.112791 0.035380 0.785553 H\n0.387209 0.464620 0.285553 H\n0.387209 0.535380 0.214447 H\n0.112791 0.964620 0.714447 H\n0.868337 0.761191 0.544532 O\n0.631663 0.738809 0.044532 O\n0.631663 0.261191 0.455468 O\n0.868337 0.238809 0.955468 O\n0.131663 0.238809 0.455468 O\n0.368337 0.261191 0.955468 O\n0.368337 0.738809 0.544532 O\n0.131663 0.761191 0.044532 O\n0.665325 0.000167 0.547143 O\n0.834675 0.499833 0.047143 O\n0.834675 0.500167 0.452857 O\n0.665325 0.999833 0.952857 O\n0.334675 0.999833 0.452857 O\n0.165325 0.500167 0.952857 O\n0.165325 0.499833 0.547143 O\n0.334675 0.000167 0.047143 O\n0.039195 0.002843 0.574521 O\n0.460805 0.497157 0.074521 O\n0.460805 0.502843 0.425479 O\n0.039195 0.997157 0.925479 O\n0.960805 0.997157 0.425479 O\n0.539195 0.502843 0.925479 O\n0.539195 0.497157 0.574521 O\n0.960805 0.002843 0.074521 O\n0.621153 0.081052 0.318716 O\n0.878847 0.418948 0.818716 O\n0.878847 0.581052 0.681284 O\n0.621153 0.918948 0.181284 O\n0.378847 0.918948 0.681284 O\n0.121153 0.581052 0.181284 O\n0.121153 0.418948 0.318716 O\n0.378847 0.081052 0.818716 O\n0.358242 0.823780 0.295072 O\n0.141758 0.676220 0.795072 O\n0.141758 0.323780 0.704928 O\n0.358242 0.176220 0.204928 O\n0.641758 0.176220 0.704928 O\n0.858242 0.323780 0.204928 O\n0.858242 0.676220 0.295072 O\n0.641758 0.823780 0.795072 O\n0.146714 0.684615 0.406357 O\n0.353286 0.815385 0.906357 O\n0.353286 0.184615 0.593643 O\n0.146714 0.315385 0.093643 O\n0.853286 0.315385 0.593643 O\n0.646714 0.184615 0.093643 O\n0.646714 0.815385 0.406357 O\n0.853286 0.684615 0.906357 O\n0.793649 0.880394 0.655901 O\n0.706351 0.619606 0.155901 O\n0.706351 0.380394 0.344099 O\n0.793649 0.119606 0.844099 O\n0.206351 0.119606 0.344099 O\n0.293649 0.380394 0.844099 O\n0.293649 0.619606 0.655901 O\n0.206351 0.880394 0.155901 O\n0.978256 0.000000 0.250000 O\n0.521744 0.500000 0.750000 O\n0.021744 0.000000 0.750000 O\n0.478256 0.500000 0.250000 O\n",
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{
"id": "mp-5965",
"created_at": "2022-09-04T14:40:13.516809Z",
"structure_string": "Tb12 Ga20 O48\n1.0\n-6.221661 6.221661 6.221661\n6.221661 -6.221661 6.221661\n6.221661 6.221661 -6.221661\nTb Ga O\n12 20 48\ndirect\n0.875000 0.750000 0.625000 Tb\n0.875000 0.625000 0.250000 Tb\n0.625000 0.875000 0.750000 Tb\n0.250000 0.875000 0.625000 Tb\n0.750000 0.625000 0.875000 Tb\n0.625000 0.250000 0.875000 Tb\n0.125000 0.250000 0.375000 Tb\n0.125000 0.375000 0.750000 Tb\n0.375000 0.125000 0.250000 Tb\n0.750000 0.125000 0.375000 Tb\n0.250000 0.375000 0.125000 Tb\n0.375000 0.750000 0.125000 Tb\n0.125000 0.750000 0.875000 Ga\n0.875000 0.250000 0.125000 Ga\n0.750000 0.375000 0.625000 Ga\n0.125000 0.875000 0.250000 Ga\n0.250000 0.125000 0.875000 Ga\n0.375000 0.625000 0.750000 Ga\n0.375000 0.250000 0.625000 Ga\n0.875000 0.125000 0.750000 Ga\n0.625000 0.375000 0.250000 Ga\n0.750000 0.875000 0.125000 Ga\n0.250000 0.625000 0.375000 Ga\n0.625000 0.750000 0.375000 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.500000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.500000 0.000000 0.000000 Ga\n0.582615 0.905093 0.377053 O\n0.377053 0.582615 0.905093 O\n0.294438 0.322478 0.917385 O\n0.471960 0.594907 0.177522 O\n0.322478 0.905093 0.028040 O\n0.122947 0.028040 0.205562 O\n0.377053 0.294438 0.471960 O\n0.905093 0.377053 0.582615 O\n0.177522 0.205562 0.582615 O\n0.471960 0.377053 0.294438 O\n0.905093 0.028040 0.322478 O\n0.594907 0.917385 0.122947 O\n0.917385 0.122947 0.594907 O\n0.294438 0.471960 0.377053 O\n0.582615 0.177522 0.205562 O\n0.205562 0.582615 0.177522 O\n0.028040 0.322478 0.905093 O\n0.917385 0.294438 0.322478 O\n0.028040 0.205562 0.122947 O\n0.822478 0.794438 0.417385 O\n0.177522 0.471960 0.594907 O\n0.594907 0.177522 0.471960 O\n0.205562 0.122947 0.028040 O\n0.122947 0.594907 0.917385 O\n0.417385 0.094907 0.622947 O\n0.622947 0.417385 0.094907 O\n0.705562 0.677522 0.082615 O\n0.528040 0.405093 0.822478 O\n0.677522 0.094907 0.971960 O\n0.877053 0.971960 0.794438 O\n0.622947 0.705562 0.528040 O\n0.094907 0.622947 0.417385 O\n0.877053 0.405093 0.082615 O\n0.794438 0.877053 0.971960 O\n0.405093 0.822478 0.528040 O\n0.677522 0.082615 0.705562 O\n0.822478 0.528040 0.405093 O\n0.971960 0.794438 0.877053 O\n0.082615 0.705562 0.677522 O\n0.971960 0.677522 0.094907 O\n0.794438 0.417385 0.822478 O\n0.417385 0.822478 0.794438 O\n0.705562 0.528040 0.622947 O\n0.082615 0.877053 0.405093 O\n0.405093 0.082615 0.877053 O\n0.094907 0.971960 0.677522 O\n0.528040 0.622947 0.705562 O\n0.322478 0.917385 0.294438 O\n",
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