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{
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{
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{
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"structure_string": "Sn6 P6 O26\n1.0\n6.622414 0.000000 0.000000\n0.000000 7.750463 0.000000\n0.000000 1.359744 10.969207\nSn P O\n6 6 26\ndirect\n0.250000 0.637379 0.202481 Sn\n0.750000 0.362621 0.797519 Sn\n0.250000 0.218126 0.450711 Sn\n0.500000 0.000000 0.000000 Sn\n0.750000 0.781874 0.549289 Sn\n0.000000 0.000000 0.000000 Sn\n0.250000 0.781389 0.479464 P\n0.750000 0.218611 0.520536 P\n0.250000 0.251312 0.771880 P\n0.750000 0.748688 0.228120 P\n0.750000 0.691536 0.880670 P\n0.250000 0.308464 0.119330 P\n0.750000 0.651705 0.742762 O\n0.566100 0.249438 0.434494 O\n0.250000 0.177221 0.651249 O\n0.555340 0.790017 0.907635 O\n0.750000 0.356300 0.613496 O\n0.750000 0.125344 0.908745 O\n0.250000 0.643700 0.386504 O\n0.055340 0.209983 0.092365 O\n0.250000 0.964244 0.403267 O\n0.750000 0.035756 0.596733 O\n0.062351 0.357021 0.797251 O\n0.250000 0.874656 0.091255 O\n0.562351 0.642979 0.202749 O\n0.750000 0.501898 0.946291 O\n0.750000 0.822779 0.348751 O\n0.444660 0.209983 0.092365 O\n0.933900 0.249438 0.434494 O\n0.433900 0.750562 0.565506 O\n0.437649 0.357021 0.797251 O\n0.250000 0.348295 0.257238 O\n0.750000 0.916182 0.121498 O\n0.250000 0.083818 0.878502 O\n0.937649 0.642979 0.202749 O\n0.944660 0.790017 0.907635 O\n0.066100 0.750562 0.565506 O\n0.250000 0.498102 0.053709 O\n",
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{
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"structure_string": "Li4 Cu4 H16 Cl12 O8\n1.0\n11.229826 0.000000 0.000000\n0.000000 6.190888 0.000000\n0.000000 2.817367 8.877265\nLi Cu H Cl O\n4 4 16 12 8\ndirect\n0.516567 0.560012 0.836986 Li\n0.016567 0.439988 0.663014 Li\n0.483433 0.439988 0.163014 Li\n0.983433 0.560012 0.336986 Li\n0.509129 0.168420 0.615999 Cu\n0.009129 0.831580 0.884001 Cu\n0.490871 0.831580 0.384001 Cu\n0.990871 0.168420 0.115999 Cu\n0.647294 0.887033 0.884597 H\n0.147294 0.112967 0.615403 H\n0.352706 0.112967 0.115403 H\n0.852706 0.887033 0.384597 H\n0.700825 0.796176 0.760428 H\n0.200825 0.203824 0.739572 H\n0.299175 0.203824 0.239572 H\n0.799175 0.796176 0.260428 H\n0.811315 0.390879 0.550752 H\n0.311315 0.609121 0.949248 H\n0.188685 0.609121 0.449248 H\n0.688685 0.390879 0.050752 H\n0.893302 0.193832 0.536797 H\n0.393302 0.806168 0.963203 H\n0.106698 0.806168 0.463203 H\n0.606698 0.193832 0.036797 H\n0.631670 0.455929 0.621831 Cl\n0.131670 0.544071 0.878169 Cl\n0.368330 0.544071 0.378169 Cl\n0.868330 0.455929 0.121831 Cl\n0.898624 0.795190 0.681946 Cl\n0.398624 0.204810 0.818054 Cl\n0.101376 0.204810 0.318054 Cl\n0.601376 0.795190 0.181946 Cl\n0.884710 0.108919 0.916092 Cl\n0.384710 0.891081 0.583908 Cl\n0.115290 0.891081 0.083908 Cl\n0.615290 0.108919 0.416092 Cl\n0.625257 0.830039 0.801847 O\n0.125257 0.169961 0.698153 O\n0.374743 0.169961 0.198153 O\n0.874743 0.830039 0.301847 O\n0.893297 0.358223 0.523671 O\n0.393297 0.641777 0.976329 O\n0.106703 0.641777 0.476329 O\n0.606703 0.358223 0.023671 O\n",
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"formula_full": "Li4 Cu4 H16 Cl12 O8",
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{
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"structure_string": "Li4 V4 S10\n1.0\n3.115697 5.009633 0.000000\n-3.115697 5.009633 0.000000\n0.000000 4.863746 10.536359\nLi V S\n4 4 10\ndirect\n0.817523 0.565394 0.180363 Li\n0.565394 0.817523 0.680363 Li\n0.434606 0.182477 0.319637 Li\n0.182477 0.434606 0.819637 Li\n0.240034 0.942037 0.052542 V\n0.057963 0.759966 0.447458 V\n0.942037 0.240034 0.552542 V\n0.759966 0.057963 0.947458 V\n0.705810 0.700982 0.467372 S\n0.700982 0.705810 0.967372 S\n0.977069 0.192254 0.357894 S\n0.337892 0.662108 0.250000 S\n0.807746 0.022931 0.142106 S\n0.192254 0.977069 0.857894 S\n0.662108 0.337892 0.750000 S\n0.022931 0.807746 0.642106 S\n0.299018 0.294190 0.032628 S\n0.294190 0.299018 0.532628 S\n",
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"elements": [
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],
"chemical_system": "Li-S-V",
"density": 2.7877131728420275,
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"volume": 328.9134874878131,
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"formula_full": "Li4 V4 S10",
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},
{
"id": "mp-562663",
"created_at": "2022-09-04T14:44:15.805291Z",
"structure_string": "Rb4 Co4 C16 O16\n1.0\n2.953851 11.271855 0.000000\n-2.953851 11.271855 0.000000\n0.000000 8.489912 11.808290\nRb Co C O\n4 4 16 16\ndirect\n0.871557 0.781530 0.061109 Rb\n0.781530 0.871557 0.561109 Rb\n0.128443 0.218470 0.938891 Rb\n0.218470 0.128443 0.438891 Rb\n0.831693 0.413288 0.738739 Co\n0.413288 0.831693 0.238739 Co\n0.168307 0.586712 0.261261 Co\n0.586712 0.168307 0.761261 Co\n0.105981 0.265691 0.659064 C\n0.265691 0.105981 0.159064 C\n0.894019 0.734309 0.340936 C\n0.734309 0.894019 0.840936 C\n0.662302 0.631286 0.801163 C\n0.631286 0.662302 0.301163 C\n0.337698 0.368714 0.198837 C\n0.368714 0.337698 0.698837 C\n0.882181 0.197286 0.841116 C\n0.197286 0.882181 0.341116 C\n0.117819 0.802714 0.158884 C\n0.802714 0.117819 0.658884 C\n0.650012 0.562233 0.656496 C\n0.562233 0.650012 0.156496 C\n0.349988 0.437767 0.343504 C\n0.437767 0.349988 0.843504 C\n0.293964 0.159846 0.602633 O\n0.159846 0.293964 0.102633 O\n0.706036 0.840154 0.397367 O\n0.840154 0.706036 0.897367 O\n0.541781 0.786153 0.840297 O\n0.786153 0.541781 0.340297 O\n0.458219 0.213847 0.159703 O\n0.213847 0.458219 0.659703 O\n0.912953 0.054530 0.908257 O\n0.054530 0.912953 0.408257 O\n0.087047 0.945470 0.091743 O\n0.945470 0.087047 0.591743 O\n0.520742 0.666998 0.604305 O\n0.666998 0.520742 0.104305 O\n0.479258 0.333002 0.395695 O\n0.333002 0.479258 0.895695 O\n",
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}
]
}