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{
"id": "mp-978850",
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{
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{
"id": "mp-759480",
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"structure_string": "Li4 Mn8 F20\n1.0\n6.951283 0.000000 0.000000\n0.000000 6.504707 0.000000\n0.000000 1.001096 9.074848\nLi Mn F\n4 8 20\ndirect\n0.111352 0.983468 0.197223 Li\n0.388648 0.483468 0.197223 Li\n0.611352 0.516532 0.802777 Li\n0.888648 0.016532 0.802777 Li\n0.639660 0.975322 0.144716 Mn\n0.860340 0.475322 0.144716 Mn\n0.630995 0.247345 0.473686 Mn\n0.130995 0.252655 0.526314 Mn\n0.869005 0.747345 0.473686 Mn\n0.369005 0.752655 0.526314 Mn\n0.139660 0.524678 0.855284 Mn\n0.360340 0.024678 0.855284 Mn\n0.338654 0.989313 0.090693 F\n0.900053 0.152350 0.136234 F\n0.161346 0.489313 0.090693 F\n0.599947 0.652350 0.136234 F\n0.567610 0.260002 0.249149 F\n0.932390 0.760002 0.249149 F\n0.334595 0.475905 0.413821 F\n0.904690 0.380458 0.392138 F\n0.165405 0.975905 0.413821 F\n0.595310 0.880458 0.392138 F\n0.404690 0.119542 0.607862 F\n0.834595 0.024095 0.586179 F\n0.095310 0.619542 0.607862 F\n0.665405 0.524095 0.586179 F\n0.067610 0.239998 0.750851 F\n0.432390 0.739998 0.750851 F\n0.400053 0.347650 0.863766 F\n0.838654 0.510687 0.909307 F\n0.099947 0.847650 0.863766 F\n0.661346 0.010687 0.909307 F\n",
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"formula_full": "Li4 Mn8 F20",
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},
{
"id": "mp-559593",
"created_at": "2022-09-04T14:40:30.383514Z",
"structure_string": "P3 S9 N15 F6\n1.0\n5.975984 -9.858726 0.000000\n5.975984 9.858726 0.000000\n-10.288195 0.000000 5.201914\nP S N F\n3 9 15 6\ndirect\n0.425136 0.425136 0.702947 P\n0.702947 0.425136 0.425136 P\n0.425136 0.702947 0.425136 P\n0.132581 0.132581 0.744651 S\n0.132581 0.744651 0.132581 S\n0.008528 0.607169 0.466156 S\n0.744651 0.132581 0.132581 S\n0.466156 0.008528 0.607169 S\n0.008528 0.466156 0.607169 S\n0.607169 0.008528 0.466156 S\n0.607169 0.466156 0.008528 S\n0.466156 0.607169 0.008528 S\n0.804779 0.534010 0.394266 N\n0.804779 0.394266 0.534010 N\n0.674088 0.173120 0.674088 N\n0.813422 0.318459 0.181676 N\n0.394266 0.804779 0.534010 N\n0.181676 0.318459 0.813422 N\n0.674088 0.674088 0.173120 N\n0.318459 0.813422 0.181676 N\n0.534010 0.394266 0.804779 N\n0.318459 0.181676 0.813422 N\n0.534010 0.804779 0.394266 N\n0.181676 0.813422 0.318459 N\n0.394266 0.534010 0.804779 N\n0.813422 0.181676 0.318459 N\n0.173120 0.674088 0.674088 N\n0.747671 0.592888 0.592888 F\n0.401329 0.169134 0.169134 F\n0.592888 0.592888 0.747671 F\n0.169134 0.169134 0.401329 F\n0.169134 0.401329 0.169134 F\n0.592888 0.747671 0.592888 F\n",
"nsites": 33,
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"elements": [
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],
"chemical_system": "F-N-P-S",
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"density_atomic": 0.053838202741679116,
"volume": 612.9476527724594,
"volume_molar": 11.185627404567743,
"formula_full": "P3 S9 N15 F6",
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"updated_at": "2021-11-28T01:35:01.986000Z",
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},
{
"id": "mp-772999",
"created_at": "2022-09-04T14:40:30.464311Z",
"structure_string": "Na4 Si2 Bi2 B2 O14\n1.0\n6.908978 0.000000 0.000000\n0.000000 5.438290 0.000000\n0.000000 0.150336 9.413601\nNa Si Bi B O\n4 2 2 2 14\ndirect\n0.999280 0.765532 0.790539 Na\n0.500720 0.765532 0.790539 Na\n0.499280 0.234468 0.209461 Na\n0.000720 0.234468 0.209461 Na\n0.750000 0.282537 0.572994 Si\n0.250000 0.717463 0.427006 Si\n0.250000 0.220124 0.653816 Bi\n0.750000 0.779876 0.346184 Bi\n0.250000 0.271575 0.930914 B\n0.750000 0.728425 0.069086 B\n0.750000 0.697323 0.930718 O\n0.250000 0.042357 0.858914 O\n0.250000 0.472479 0.826886 O\n0.938066 0.197676 0.667078 O\n0.561934 0.197676 0.667078 O\n0.250000 0.840756 0.586513 O\n0.750000 0.588449 0.548381 O\n0.250000 0.411551 0.451619 O\n0.750000 0.159244 0.413487 O\n0.438066 0.802324 0.332922 O\n0.061934 0.802324 0.332922 O\n0.750000 0.527521 0.173114 O\n0.750000 0.957643 0.141086 O\n0.250000 0.302677 0.069282 O\n",
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{
"id": "mp-583084",
"created_at": "2022-09-04T14:40:30.467474Z",
"structure_string": "Rb12 Er12 P16 S64\n1.0\n16.340753 0.000000 0.000000\n0.000000 9.295943 0.000000\n0.000000 7.578170 18.497786\nRb Er P S\n12 12 16 64\ndirect\n0.032994 0.171446 0.730600 Rb\n0.894714 0.280412 0.932904 Rb\n0.494058 0.712844 0.082209 Rb\n0.394714 0.719588 0.567096 Rb\n0.967006 0.828554 0.269400 Rb\n0.105286 0.719588 0.067096 Rb\n0.467006 0.171446 0.230600 Rb\n0.605286 0.280412 0.432904 Rb\n0.532994 0.828554 0.769400 Rb\n0.005942 0.712844 0.582209 Rb\n0.505942 0.287156 0.917791 Rb\n0.994058 0.287156 0.417791 Rb\n0.760788 0.504854 0.182640 Er\n0.772340 0.047651 0.663681 Er\n0.725092 0.771548 0.414068 Er\n0.739212 0.504854 0.682640 Er\n0.274908 0.228452 0.585932 Er\n0.260788 0.495146 0.317360 Er\n0.727660 0.047651 0.163681 Er\n0.239212 0.495146 0.817360 Er\n0.225092 0.228452 0.085932 Er\n0.272340 0.952349 0.836319 Er\n0.774908 0.771548 0.914068 Er\n0.227660 0.952349 0.336319 Er\n0.356120 0.162723 0.417639 P\n0.189986 0.591703 0.468222 P\n0.643880 0.837277 0.582361 P\n0.856120 0.837277 0.082361 P\n0.810014 0.408297 0.531778 P\n0.704725 0.153130 0.810476 P\n0.204725 0.846870 0.689524 P\n0.310014 0.591703 0.968222 P\n0.795275 0.153130 0.310476 P\n0.624814 0.717320 0.268083 P\n0.143880 0.162723 0.917639 P\n0.689986 0.408297 0.031778 P\n0.875186 0.717320 0.768083 P\n0.295275 0.846870 0.189524 P\n0.375186 0.282680 0.731917 P\n0.124814 0.282680 0.231917 P\n0.751839 0.745524 0.274169 S\n0.705038 0.354511 0.828099 S\n0.690351 0.202958 0.017688 S\n0.618157 0.020729 0.611647 S\n0.730080 0.809655 0.089852 S\n0.370400 0.413437 0.046028 S\n0.895989 0.879021 0.979949 S\n0.180050 0.933363 0.195675 S\n0.118157 0.979271 0.888353 S\n0.870400 0.586563 0.453972 S\n0.144092 0.026066 0.612049 S\n0.395989 0.120979 0.520051 S\n0.129600 0.413437 0.546028 S\n0.769920 0.809655 0.589852 S\n0.680050 0.066637 0.304325 S\n0.819950 0.066637 0.804325 S\n0.629600 0.586563 0.953972 S\n0.394008 0.466487 0.762436 S\n0.589456 0.640465 0.655156 S\n0.304825 0.504632 0.462358 S\n0.858009 0.345091 0.635245 S\n0.855908 0.973934 0.387951 S\n0.344886 0.782890 0.291695 S\n0.655114 0.217110 0.708305 S\n0.190351 0.797042 0.482312 S\n0.923313 0.912108 0.688570 S\n0.804825 0.495368 0.037642 S\n0.155114 0.782890 0.791695 S\n0.604011 0.879021 0.479949 S\n0.248161 0.254476 0.725831 S\n0.230080 0.190345 0.410148 S\n0.844886 0.217110 0.208305 S\n0.319950 0.933363 0.695675 S\n0.105992 0.466487 0.262436 S\n0.355908 0.026066 0.112049 S\n0.809649 0.202958 0.517688 S\n0.195175 0.504632 0.962358 S\n0.894008 0.533513 0.737564 S\n0.309649 0.797042 0.982312 S\n0.580773 0.685121 0.367555 S\n0.794962 0.354511 0.328099 S\n0.641991 0.345091 0.135245 S\n0.104011 0.120979 0.020051 S\n0.076687 0.087892 0.311430 S\n0.695175 0.495368 0.537642 S\n0.141991 0.654909 0.364755 S\n0.419227 0.314879 0.632445 S\n0.251839 0.254476 0.225831 S\n0.080773 0.314879 0.132445 S\n0.576687 0.912108 0.188570 S\n0.089456 0.359535 0.844844 S\n0.919227 0.685121 0.867555 S\n0.881843 0.020729 0.111647 S\n0.910544 0.640465 0.155156 S\n0.423313 0.087892 0.811430 S\n0.605992 0.533513 0.237564 S\n0.644092 0.973934 0.887951 S\n0.381843 0.979271 0.388353 S\n0.269920 0.190345 0.910148 S\n0.358009 0.654909 0.864755 S\n0.294962 0.645489 0.171901 S\n0.748161 0.745524 0.774169 S\n0.205038 0.645489 0.671901 S\n0.410544 0.359535 0.344844 S\n",
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{
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"structure_string": "Hf4 Ru12 C3\n1.0\n4.081952 0.000000 0.000000\n0.000000 4.081952 0.000000\n0.000000 0.000000 15.979563\nHf Ru C\n4 12 3\ndirect\n0.000000 0.000000 0.882261 Hf\n0.000000 0.000000 0.117739 Hf\n0.000000 0.000000 0.373011 Hf\n0.000000 0.000000 0.626989 Hf\n0.500000 0.500000 0.884072 Ru\n0.500000 0.500000 0.115928 Ru\n0.500000 0.500000 0.372850 Ru\n0.500000 0.500000 0.627150 Ru\n0.500000 0.000000 0.000000 Ru\n0.500000 0.000000 0.249029 Ru\n0.500000 0.000000 0.500000 Ru\n0.500000 0.000000 0.750971 Ru\n0.000000 0.500000 0.000000 Ru\n0.000000 0.500000 0.249029 Ru\n0.000000 0.500000 0.500000 Ru\n0.000000 0.500000 0.750971 Ru\n0.500000 0.500000 0.239116 C\n0.500000 0.500000 0.500000 C\n0.500000 0.500000 0.760884 C\n",
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{
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"structure_string": "Ti20 Ge16\n1.0\n6.682099 0.000000 0.000000\n0.000000 6.775935 0.000000\n0.000000 0.000000 12.888518\nTi Ge\n20 16\ndirect\n0.826362 0.494821 0.750000 Ti\n0.326362 0.005179 0.750000 Ti\n0.173638 0.505179 0.250000 Ti\n0.673638 0.994821 0.250000 Ti\n0.649333 0.165954 0.625929 Ti\n0.149333 0.334046 0.874071 Ti\n0.350667 0.834046 0.125929 Ti\n0.850667 0.665954 0.374071 Ti\n0.350667 0.834046 0.374071 Ti\n0.850667 0.665954 0.125929 Ti\n0.649333 0.165954 0.874071 Ti\n0.149333 0.334046 0.625929 Ti\n0.485142 0.678356 0.593668 Ti\n0.985142 0.821644 0.906332 Ti\n0.514858 0.321644 0.093668 Ti\n0.014858 0.178356 0.406332 Ti\n0.514858 0.321644 0.406332 Ti\n0.014858 0.178356 0.093668 Ti\n0.485142 0.678356 0.906332 Ti\n0.985142 0.821644 0.593668 Ti\n0.681713 0.847337 0.750000 Ge\n0.181713 0.652663 0.750000 Ge\n0.318287 0.152663 0.250000 Ge\n0.818287 0.347337 0.250000 Ge\n0.453425 0.389279 0.750000 Ge\n0.953425 0.110721 0.750000 Ge\n0.546575 0.610721 0.250000 Ge\n0.046575 0.889279 0.250000 Ge\n0.693233 0.963576 0.460196 Ge\n0.193233 0.536424 0.039804 Ge\n0.306767 0.036424 0.960196 Ge\n0.806767 0.463576 0.539804 Ge\n0.306767 0.036424 0.539804 Ge\n0.806767 0.463576 0.960196 Ge\n0.693233 0.963576 0.039804 Ge\n0.193233 0.536424 0.460196 Ge\n",
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{
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"structure_string": "Li6 Mn12 P12 O48\n1.0\n7.296756 0.000000 0.000000\n0.000000 8.473429 0.000000\n0.000000 0.037764 14.658545\nLi Mn P O\n6 12 12 48\ndirect\n0.834611 0.819819 0.658734 Li\n0.681982 0.823711 0.009632 Li\n0.822166 0.843994 0.335395 Li\n0.322166 0.156006 0.664605 Li\n0.181982 0.176289 0.990368 Li\n0.334611 0.180181 0.341266 Li\n0.962745 0.485392 0.666587 Mn\n0.047803 0.498776 0.335040 Mn\n0.004613 0.517749 0.992545 Mn\n0.547803 0.501224 0.664960 Mn\n0.504613 0.482251 0.007455 Mn\n0.462745 0.514608 0.333413 Mn\n0.546086 0.994398 0.173875 Mn\n0.506458 0.975643 0.495106 Mn\n0.457614 0.987861 0.835459 Mn\n0.006458 0.024357 0.504894 Mn\n0.957614 0.012139 0.164541 Mn\n0.046086 0.005602 0.826125 Mn\n0.258307 0.301556 0.159209 P\n0.237896 0.334622 0.514517 P\n0.255912 0.362389 0.821105 P\n0.755912 0.637611 0.178895 P\n0.737896 0.665378 0.485483 P\n0.758307 0.698444 0.840791 P\n0.251598 0.809621 0.662800 P\n0.258332 0.839772 0.022647 P\n0.231797 0.858006 0.325840 P\n0.731797 0.141994 0.674160 P\n0.758332 0.160228 0.977353 P\n0.751598 0.190379 0.337200 P\n0.573459 0.284284 0.346585 O\n0.922473 0.285023 0.361109 O\n0.753175 0.317564 0.700122 O\n0.056986 0.324804 0.567805 O\n0.734738 0.324788 0.017499 O\n0.393863 0.361382 0.584079 O\n0.238616 0.345417 0.261203 O\n0.275934 0.368332 0.926414 O\n0.434364 0.426439 0.777317 O\n0.232875 0.462253 0.436186 O\n0.281446 0.447417 0.098827 O\n0.087739 0.451721 0.789992 O\n0.732875 0.537747 0.563814 O\n0.587739 0.548279 0.210008 O\n0.781446 0.552583 0.901173 O\n0.934364 0.573561 0.222683 O\n0.738616 0.654583 0.738797 O\n0.775934 0.631668 0.073586 O\n0.893863 0.638618 0.415921 O\n0.556986 0.675196 0.432195 O\n0.234738 0.675212 0.982501 O\n0.253175 0.682436 0.299878 O\n0.422473 0.714977 0.638891 O\n0.073459 0.715716 0.653415 O\n0.929362 0.807856 0.855879 O\n0.588799 0.789043 0.878243 O\n0.735046 0.820739 0.205593 O\n0.771252 0.828519 0.530924 O\n0.443279 0.849523 0.075464 O\n0.095981 0.875698 0.087413 O\n0.215367 0.881085 0.429438 O\n0.264261 0.869981 0.766985 O\n0.052093 0.926437 0.282522 O\n0.242260 0.962089 0.603541 O\n0.394960 0.961785 0.291561 O\n0.262912 0.968355 0.944320 O\n0.894960 0.038215 0.708439 O\n0.742260 0.037911 0.396459 O\n0.762912 0.031645 0.055680 O\n0.552093 0.073563 0.717478 O\n0.715367 0.118915 0.570562 O\n0.764261 0.130019 0.233015 O\n0.595981 0.124302 0.912587 O\n0.271252 0.171481 0.469076 O\n0.943279 0.150477 0.924536 O\n0.235046 0.179261 0.794407 O\n0.088799 0.210957 0.121757 O\n0.429362 0.192144 0.144121 O\n",
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}