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{
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{
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{
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"structure_string": "H18 C4 N18 O12\n1.0\n8.153593 0.000000 0.000000\n-3.037856 7.935834 0.000000\n-0.808313 -2.708144 8.148521\nH C N O\n18 4 18 12\ndirect\n0.407628 0.845023 0.980992 H\n0.592372 0.154977 0.019008 H\n0.487790 0.358311 0.597673 H\n0.512210 0.641689 0.402327 H\n0.746157 0.992924 0.857600 H\n0.253843 0.007076 0.142400 H\n0.153769 0.619856 0.038072 H\n0.846231 0.380144 0.961928 H\n0.728549 0.700003 0.822573 H\n0.271451 0.299997 0.177427 H\n0.111576 0.630568 0.849709 H\n0.888424 0.369432 0.150291 H\n0.553583 0.305571 0.756740 H\n0.446417 0.694429 0.243260 H\n0.294869 0.388188 0.788564 H\n0.705131 0.611812 0.211436 H\n0.811680 0.986889 0.044336 H\n0.188320 0.013111 0.955664 H\n0.077624 0.789099 0.503741 C\n0.922376 0.210901 0.496259 C\n0.481468 0.644083 0.877307 C\n0.518532 0.355917 0.122693 C\n0.369884 0.709855 0.949039 N\n0.630116 0.290145 0.050961 N\n0.649389 0.753487 0.883916 N\n0.350611 0.246513 0.116084 N\n0.427819 0.468789 0.804909 N\n0.572181 0.531211 0.195091 N\n0.543641 0.407820 0.720542 N\n0.456359 0.592180 0.279458 N\n0.188199 0.596599 0.925654 N\n0.811801 0.403401 0.074346 N\n0.704741 0.938439 0.947659 N\n0.295259 0.061561 0.052341 N\n0.948746 0.781191 0.597450 N\n0.051254 0.218809 0.402550 N\n0.072806 0.813923 0.351803 N\n0.927194 0.186077 0.648197 N\n0.244265 0.784139 0.579608 N\n0.755735 0.215861 0.420392 N\n0.246607 0.635535 0.563286 O\n0.753393 0.364465 0.436714 O\n0.987875 0.769583 0.739919 O\n0.012125 0.230417 0.260081 O\n0.803008 0.786592 0.546509 O\n0.196992 0.213408 0.453491 O\n0.941267 0.829905 0.280149 O\n0.058733 0.170095 0.719851 O\n0.209326 0.819913 0.289677 O\n0.790674 0.180087 0.710323 O\n0.369873 0.927458 0.655102 O\n0.630127 0.072542 0.344898 O\n",
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{
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"structure_string": "Si2 P4 O14\n1.0\n2.403198 -4.162461 0.000000\n2.403198 4.162461 0.000000\n0.000000 0.000000 12.106297\nSi P O\n2 4 14\ndirect\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.333333 0.666667 0.880052 P\n0.666667 0.333333 0.119948 P\n0.666667 0.333333 0.380052 P\n0.333333 0.666667 0.619948 P\n0.925754 0.255572 0.086353 O\n0.744428 0.670182 0.086353 O\n0.074246 0.744428 0.586353 O\n0.255572 0.329818 0.913647 O\n0.333333 0.666667 0.750000 O\n0.670182 0.925754 0.586353 O\n0.744428 0.670182 0.413647 O\n0.670182 0.925754 0.913647 O\n0.329818 0.074246 0.086353 O\n0.255572 0.329818 0.586353 O\n0.925754 0.255572 0.413647 O\n0.329818 0.074246 0.413647 O\n0.074246 0.744428 0.913647 O\n0.666667 0.333333 0.250000 O\n",
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},
{
"id": "mp-1213371",
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"structure_string": "Cu2 As2 Pb1 O10\n1.0\n3.059686 4.665276 0.000000\n-3.059686 4.665276 0.000000\n0.000000 3.968228 7.135562\nCu As Pb O\n2 2 1 10\ndirect\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.576331 0.576331 0.220299 As\n0.423669 0.423669 0.779701 As\n0.000000 0.000000 0.000000 Pb\n0.817251 0.817251 0.561583 O\n0.182749 0.182749 0.438417 O\n0.285185 0.285185 0.009821 O\n0.714815 0.714815 0.990179 O\n0.678392 0.678392 0.348985 O\n0.321608 0.321608 0.651015 O\n0.688503 0.219179 0.270316 O\n0.311497 0.780821 0.729684 O\n0.780821 0.311497 0.729684 O\n0.219179 0.688503 0.270316 O\n",
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{
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"structure_string": "Ho10 Si6 C2\n1.0\n0.000000 0.000000 -6.333071\n-4.217730 -7.305322 0.000000\n-4.219734 7.306479 0.000000\nHo Si C\n10 6 2\ndirect\n0.500001 0.333291 0.666599 Ho\n0.500001 0.666692 0.333401 Ho\n0.000001 0.666709 0.333401 Ho\n0.000001 0.333308 0.666599 Ho\n0.749997 0.224003 0.000000 Ho\n0.750002 0.775899 0.775817 Ho\n0.750002 0.000082 0.224183 Ho\n0.249997 0.775997 0.000000 Ho\n0.250002 0.224101 0.224183 Ho\n0.250002 0.999918 0.775817 Ho\n0.750005 0.592961 0.000000 Si\n0.749996 0.407051 0.407042 Si\n0.749996 0.000009 0.592958 Si\n0.250005 0.407039 0.000000 Si\n0.249996 0.592949 0.592958 Si\n0.249996 0.999991 0.407042 Si\n0.500001 0.999994 0.000000 C\n0.000001 0.000006 0.000000 C\n",
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{
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"structure_string": "Ba6 Na4 Cr8 F40\n1.0\n21.025650 0.000000 0.000000\n0.000000 5.548811 0.000000\n0.000000 5.446101 7.413326\nBa Na Cr F\n6 4 8 40\ndirect\n0.223217 0.033963 0.994074 Ba\n0.276783 0.033963 0.494074 Ba\n0.723217 0.966037 0.505926 Ba\n0.500000 0.000000 0.500000 Ba\n0.776783 0.966037 0.005926 Ba\n0.000000 0.000000 0.000000 Ba\n0.591021 0.790571 0.226209 Na\n0.908979 0.790571 0.726209 Na\n0.408979 0.209429 0.773791 Na\n0.091021 0.209429 0.273791 Na\n0.896642 0.305982 0.213034 Cr\n0.361624 0.504824 0.968068 Cr\n0.603358 0.305982 0.713034 Cr\n0.138376 0.504824 0.468068 Cr\n0.638376 0.495176 0.031932 Cr\n0.396642 0.694018 0.286966 Cr\n0.103358 0.694018 0.786966 Cr\n0.861624 0.495176 0.531932 Cr\n0.178350 0.889060 0.357501 F\n0.679008 0.534512 0.205695 F\n0.820992 0.534512 0.705695 F\n0.092065 0.532597 0.645395 F\n0.888524 0.168475 0.064487 F\n0.194298 0.675263 0.771269 F\n0.210564 0.305238 0.627782 F\n0.611476 0.168475 0.564487 F\n0.011831 0.687373 0.811996 F\n0.607403 0.716414 0.499289 F\n0.320992 0.465488 0.794305 F\n0.678350 0.110940 0.142499 F\n0.694298 0.324737 0.728731 F\n0.907935 0.467403 0.354605 F\n0.821650 0.110940 0.642499 F\n0.111476 0.831525 0.935513 F\n0.289436 0.305238 0.127782 F\n0.805702 0.324737 0.228731 F\n0.305702 0.675263 0.271269 F\n0.901792 0.890768 0.436285 F\n0.988169 0.312627 0.188004 F\n0.592065 0.467403 0.854605 F\n0.567186 0.301196 0.193855 F\n0.488169 0.687373 0.311996 F\n0.710564 0.694762 0.872218 F\n0.388524 0.831525 0.435513 F\n0.407935 0.532597 0.145395 F\n0.392597 0.283586 0.500711 F\n0.892597 0.716414 0.999289 F\n0.432814 0.698804 0.806145 F\n0.789436 0.694762 0.372218 F\n0.511831 0.312627 0.688004 F\n0.598208 0.890768 0.936285 F\n0.067186 0.698804 0.306145 F\n0.179008 0.465488 0.294305 F\n0.098208 0.109232 0.563715 F\n0.107403 0.283586 0.000711 F\n0.321650 0.889060 0.857501 F\n0.401792 0.109232 0.063715 F\n0.932814 0.301196 0.693855 F\n",
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{
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{
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"formula_full": "K1 Ba1 Bi1 W1 O6",
"formula_reduced": "KBaBiWO6",
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},
{
"id": "mp-1209153",
"created_at": "2022-09-04T14:46:12.572205Z",
"structure_string": "Rb2 Al2 H8\n1.0\n1.906511 -7.499475 0.000000\n1.906511 7.499475 0.000000\n0.000000 0.000000 6.510415\nRb Al H\n2 2 8\ndirect\n0.620443 0.379557 0.166408 Rb\n0.379557 0.620443 0.666408 Rb\n0.884215 0.115785 0.144433 Al\n0.115785 0.884215 0.644433 Al\n0.808443 0.191557 0.964971 H\n0.191557 0.808443 0.464971 H\n0.390614 0.609386 0.153018 H\n0.609386 0.390614 0.653018 H\n0.014817 0.985183 0.546251 H\n0.985183 0.014817 0.046251 H\n0.847691 0.152309 0.379320 H\n0.152309 0.847691 0.879320 H\n",
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]
}