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{
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},
{
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"structure_string": "Zn6 H12 O12\n1.0\n3.349216 0.000000 0.000000\n-0.014319 8.138482 0.000000\n-1.581585 -4.067736 11.808337\nZn H O\n6 12 12\ndirect\n0.932469 0.681424 0.824332 Zn\n0.104252 0.314773 0.177625 Zn\n0.106904 0.869763 0.173488 Zn\n0.931959 0.144800 0.818741 Zn\n0.800121 0.793853 0.562248 Zn\n0.240765 0.229402 0.435945 Zn\n0.486288 0.608415 0.647255 H\n0.187606 0.500352 0.383711 H\n0.838334 0.961178 0.351152 H\n0.798944 0.118392 0.613917 H\n0.449173 0.478586 0.871954 H\n0.577053 0.512955 0.127800 H\n0.537087 0.693028 0.040242 H\n0.498236 0.310028 0.967849 H\n0.223202 0.808053 0.420014 H\n0.800771 0.384647 0.578447 H\n0.597676 0.950377 0.892406 H\n0.990208 0.022601 0.034476 H\n0.776730 0.626730 0.654131 O\n0.135565 0.375153 0.341937 O\n0.122398 0.971093 0.344157 O\n0.795187 0.035914 0.657386 O\n0.450871 0.604741 0.876976 O\n0.569522 0.385313 0.113245 O\n0.575854 0.728754 0.124087 O\n0.455770 0.275284 0.882554 O\n0.250158 0.734170 0.469736 O\n0.778158 0.260735 0.530540 O\n0.877247 0.939784 0.879217 O\n0.023453 0.062679 0.117738 O\n",
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"elements": [
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],
"chemical_system": "H-O-Zn",
"density": 3.077619166886848,
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"volume_molar": 6.461077513122775,
"formula_full": "Zn6 H12 O12",
"formula_reduced": "Zn(HO)2",
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"spacegroup": 1
},
{
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"created_at": "2022-09-04T14:44:25.492850Z",
"structure_string": "K8 P4 O12 F4\n1.0\n6.061300 0.000000 0.000000\n0.000000 7.756854 0.000000\n0.000000 0.000000 10.239034\nK P O F\n8 4 12 4\ndirect\n0.250000 0.012993 0.275494 K\n0.750000 0.987007 0.724506 K\n0.250000 0.512993 0.224506 K\n0.750000 0.487007 0.775494 K\n0.250000 0.181169 0.929933 K\n0.750000 0.818831 0.070067 K\n0.250000 0.681169 0.570067 K\n0.750000 0.318831 0.429933 K\n0.250000 0.239104 0.593424 P\n0.750000 0.760896 0.406576 P\n0.250000 0.739104 0.906576 P\n0.750000 0.260896 0.093424 P\n0.750000 0.666869 0.537368 O\n0.250000 0.333131 0.462632 O\n0.250000 0.833131 0.037368 O\n0.750000 0.166869 0.962632 O\n0.537915 0.744695 0.328051 O\n0.037915 0.255305 0.671949 O\n0.962085 0.244695 0.171949 O\n0.462085 0.755305 0.828051 O\n0.462085 0.255305 0.671949 O\n0.962085 0.744695 0.328051 O\n0.037915 0.755305 0.828051 O\n0.537915 0.244695 0.171949 O\n0.750000 0.468854 0.049374 F\n0.250000 0.531146 0.950626 F\n0.250000 0.031146 0.549374 F\n0.750000 0.968854 0.450626 F\n",
"nsites": 28,
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"elements": [
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"P",
"O",
"F"
],
"chemical_system": "F-K-O-P",
"density": 2.430654210539417,
"density_atomic": 0.05816311388594821,
"volume": 481.4047620439489,
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"formula_full": "K8 P4 O12 F4",
"formula_reduced": "K2PO3F",
"formula_anonymous": "ABC2D3",
"energy": -175.19685841,
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"updated_at": "2021-11-28T01:36:37.232000Z",
"spacegroup": 62
}
]
}