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{
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"structure_string": "Li2 Ni2 P2 C2 O14\n1.0\n6.352985 0.000000 0.000000\n0.000000 5.089037 0.000000\n0.000000 0.598474 8.613402\nLi Ni P C O\n2 2 2 2 14\ndirect\n0.993724 0.222339 0.231472 Li\n0.493724 0.777661 0.768528 Li\n0.750276 0.791277 0.339655 Ni\n0.250276 0.208723 0.660345 Ni\n0.251816 0.720276 0.428949 P\n0.751816 0.279724 0.571051 P\n0.750469 0.722437 0.062714 C\n0.250469 0.277563 0.937286 C\n0.441265 0.782862 0.320181 O\n0.757903 0.953487 0.118182 O\n0.271039 0.470335 0.830624 O\n0.771039 0.529665 0.169376 O\n0.566288 0.167860 0.671280 O\n0.771348 0.150634 0.415869 O\n0.941265 0.217138 0.679819 O\n0.257903 0.046513 0.881818 O\n0.066288 0.832140 0.328720 O\n0.228927 0.417573 0.461159 O\n0.720148 0.688287 0.922429 O\n0.220148 0.311713 0.077571 O\n0.728927 0.582427 0.538841 O\n0.271348 0.849366 0.584131 O\n",
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{
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"formula_full": "Ca4 Zr4 Nb4 Fe4 O28",
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{
"id": "mp-767535",
"created_at": "2022-09-04T14:44:21.951073Z",
"structure_string": "Na2 Hf2 P2 C2 O14\n1.0\n6.655543 0.000000 0.000000\n0.000000 5.555237 0.000000\n0.000000 0.380584 9.300247\nNa Hf P C O\n2 2 2 2 14\ndirect\n0.506383 0.759194 0.796399 Na\n0.006383 0.240806 0.203601 Na\n0.233312 0.209097 0.657432 Hf\n0.733312 0.790903 0.342568 Hf\n0.740037 0.275578 0.561235 P\n0.240037 0.724422 0.438765 P\n0.265737 0.276660 0.926307 C\n0.765737 0.723340 0.073693 C\n0.753207 0.687151 0.944321 O\n0.263364 0.059481 0.867932 O\n0.275975 0.452085 0.822151 O\n0.926296 0.220698 0.655741 O\n0.550080 0.199709 0.644871 O\n0.256048 0.867913 0.578626 O\n0.731710 0.548548 0.517671 O\n0.231710 0.451452 0.482329 O\n0.756048 0.132087 0.421374 O\n0.050080 0.800291 0.355129 O\n0.426296 0.779302 0.344259 O\n0.775975 0.547915 0.177849 O\n0.763364 0.940519 0.132068 O\n0.253207 0.312849 0.055679 O\n",
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{
"id": "mp-770902",
"created_at": "2022-09-04T14:45:12.840071Z",
"structure_string": "Li2 Fe2 As2 C2 O14\n1.0\n8.827284 0.000000 0.168562\n0.000000 6.644033 0.000000\n0.313806 0.000000 5.255639\nLi Fe As C O\n2 2 2 2 14\ndirect\n0.217265 0.512400 0.211577 Li\n0.782735 0.012400 0.788423 Li\n0.346214 0.754557 0.797920 Fe\n0.653786 0.254557 0.202080 Fe\n0.422277 0.245912 0.726601 As\n0.577723 0.745912 0.273399 As\n0.064046 0.748547 0.726765 C\n0.935954 0.248547 0.273235 C\n0.073452 0.284781 0.303400 O\n0.116394 0.744858 0.951370 O\n0.165379 0.719814 0.538971 O\n0.309932 0.042258 0.794130 O\n0.318767 0.450441 0.831918 O\n0.403213 0.730702 0.148139 O\n0.462907 0.263579 0.399186 O\n0.537093 0.763579 0.600814 O\n0.596787 0.230702 0.851861 O\n0.681233 0.950441 0.168082 O\n0.690068 0.542258 0.205870 O\n0.834621 0.219814 0.461029 O\n0.883606 0.244858 0.048630 O\n0.926548 0.784781 0.696600 O\n",
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{
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"created_at": "2022-09-04T14:46:40.187969Z",
"structure_string": "K2 Nb2 P2 C2 O14\n1.0\n6.524860 0.000000 0.000000\n0.000000 5.608479 0.000000\n0.000000 0.249013 10.090075\nK Nb P C O\n2 2 2 2 14\ndirect\n0.560754 0.746595 0.766990 K\n0.060754 0.253405 0.233010 K\n0.222039 0.221154 0.662970 Nb\n0.722039 0.778846 0.337030 Nb\n0.729715 0.280143 0.555978 P\n0.229715 0.719857 0.444022 P\n0.264954 0.277665 0.910621 C\n0.764954 0.722335 0.089379 C\n0.786175 0.695258 0.970815 O\n0.258345 0.065274 0.849142 O\n0.247523 0.455342 0.817978 O\n0.920789 0.229706 0.648400 O\n0.540746 0.232337 0.646621 O\n0.237511 0.890122 0.560346 O\n0.733599 0.544171 0.511753 O\n0.233599 0.455829 0.488247 O\n0.737511 0.109878 0.439654 O\n0.040746 0.767663 0.353379 O\n0.420789 0.770294 0.351600 O\n0.747523 0.544658 0.182022 O\n0.758345 0.934726 0.150858 O\n0.286175 0.304742 0.029185 O\n",
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{
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"structure_string": "Na4 V4 P4 C4 O28\n1.0\n0.357850 5.461851 0.000000\n0.000000 0.000000 6.433468\n17.332563 -0.568031 -0.000002\nNa V P C O\n4 4 4 4 28\ndirect\n0.777694 0.250001 0.038937 Na\n0.777920 0.250002 0.538923 Na\n0.222327 0.749999 0.461056 Na\n0.222065 0.749997 0.961080 Na\n0.773131 0.750001 0.669156 V\n0.226962 0.249998 0.830843 V\n0.773067 0.750001 0.169187 V\n0.226895 0.249999 0.330786 V\n0.739191 0.250000 0.217124 P\n0.739268 0.250000 0.717133 P\n0.260790 0.750000 0.282859 P\n0.260758 0.750000 0.782899 P\n0.697574 0.750001 0.030619 C\n0.697816 0.750001 0.530479 C\n0.302425 0.249998 0.469360 C\n0.302220 0.250000 0.969531 C\n0.344167 0.249999 0.039381 O\n0.344557 0.249998 0.539268 O\n0.655842 0.750001 0.460631 O\n0.655432 0.750002 0.960715 O\n0.919906 0.750001 0.059817 O\n0.920088 0.750002 0.559742 O\n0.080087 0.250000 0.440165 O\n0.079954 0.250003 0.940258 O\n0.527569 0.749999 0.086991 O\n0.527719 0.750001 0.586863 O\n0.472428 0.249998 0.412993 O\n0.472339 0.249999 0.913151 O\n0.073248 0.750001 0.217793 O\n0.072841 0.750002 0.717901 O\n0.926723 0.249999 0.282193 O\n0.927100 0.249997 0.782138 O\n0.479211 0.250000 0.254794 O\n0.479531 0.249999 0.754925 O\n0.520767 0.750000 0.245186 O\n0.520434 0.750002 0.745091 O\n0.775539 0.059690 0.163987 O\n0.775449 0.059703 0.663983 O\n0.775541 0.440311 0.163987 O\n0.775452 0.440299 0.663984 O\n0.224460 0.559689 0.335997 O\n0.224527 0.559694 0.836047 O\n0.224460 0.940310 0.335997 O\n0.224528 0.940303 0.836049 O\n",
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{
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"structure_string": "Na2 Co2 As2 C2 O14\n1.0\n6.234898 0.000000 0.000000\n0.000000 5.331750 0.000000\n0.000000 0.505634 9.231897\nNa Co As C O\n2 2 2 2 14\ndirect\n0.521502 0.764270 0.769872 Na\n0.021502 0.235730 0.230128 Na\n0.241595 0.214003 0.667565 Co\n0.741595 0.785997 0.332435 Co\n0.747593 0.282975 0.561221 As\n0.247593 0.717025 0.438779 As\n0.253687 0.273796 0.918652 C\n0.753687 0.726204 0.081348 C\n0.754070 0.692065 0.951113 O\n0.250019 0.055300 0.859041 O\n0.254979 0.454925 0.813559 O\n0.950269 0.212165 0.686588 O\n0.542853 0.201550 0.681544 O\n0.253890 0.878665 0.592898 O\n0.731692 0.603554 0.521027 O\n0.231692 0.396446 0.478973 O\n0.753890 0.121335 0.407102 O\n0.042853 0.798450 0.318456 O\n0.450269 0.787835 0.313412 O\n0.754979 0.545075 0.186441 O\n0.750019 0.944700 0.140959 O\n0.254070 0.307935 0.048887 O\n",
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{
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"structure_string": "Na2 Mn2 P2 C2 O14\n1.0\n5.158492 0.000000 0.000000\n-0.172110 6.191394 0.000000\n-0.262831 -0.292752 9.427246\nNa Mn P C O\n2 2 2 2 14\ndirect\n0.252842 0.051838 0.769975 Na\n0.747158 0.948162 0.230025 Na\n0.784291 0.752280 0.649586 Mn\n0.215709 0.247720 0.350414 Mn\n0.721338 0.243499 0.562111 P\n0.278662 0.756501 0.437889 P\n0.708097 0.750544 0.900522 C\n0.291903 0.249456 0.099478 C\n0.335386 0.241725 0.972137 O\n0.939500 0.766677 0.844110 O\n0.525972 0.727582 0.797645 O\n0.833120 0.448351 0.640561 O\n0.753386 0.065282 0.674907 O\n0.128806 0.811015 0.572548 O\n0.427285 0.255916 0.524953 O\n0.572715 0.744084 0.475047 O\n0.871194 0.188985 0.427452 O\n0.246614 0.934718 0.325093 O\n0.166880 0.551649 0.359439 O\n0.474028 0.272418 0.202355 O\n0.060500 0.233323 0.155890 O\n0.664614 0.758275 0.027863 O\n",
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{
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"structure_string": "Li2 Mn2 C2 S2 O14\n1.0\n6.804861 0.000000 0.000000\n0.000000 5.089238 0.000000\n0.000000 0.719214 8.677696\nLi Mn C S O\n2 2 2 2 14\ndirect\n0.477004 0.788841 0.816206 Li\n0.977004 0.211159 0.183794 Li\n0.253127 0.226822 0.654003 Mn\n0.753127 0.773178 0.345997 Mn\n0.249003 0.280641 0.927225 C\n0.749003 0.719359 0.072775 C\n0.756963 0.252460 0.582958 S\n0.256963 0.747540 0.417042 S\n0.708589 0.690707 0.937261 O\n0.259492 0.049599 0.866644 O\n0.278184 0.476208 0.818608 O\n0.934394 0.200942 0.675034 O\n0.581948 0.158896 0.671647 O\n0.267684 0.872100 0.567157 O\n0.735765 0.545371 0.541130 O\n0.235765 0.454629 0.458870 O\n0.767684 0.127900 0.432843 O\n0.081948 0.841104 0.328353 O\n0.434394 0.799058 0.324966 O\n0.778184 0.523792 0.181392 O\n0.759492 0.950401 0.133356 O\n0.208589 0.309293 0.062739 O\n",
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"elements": [
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"formula_full": "Li2 Mn2 C2 S2 O14",
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{
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"volume": 563.2804172154885,
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"formula_full": "Li4 Fe4 P4 C4 O28",
"formula_reduced": "LiFePCO7",
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"spacegroup": 1
},
{
"id": "mp-773160",
"created_at": "2022-09-04T14:41:04.720776Z",
"structure_string": "Li2 Cr2 C2 S2 O14\n1.0\n9.267174 -0.000290 0.035414\n-0.000209 6.381948 0.000079\n0.253884 0.000056 5.224709\nLi Cr C S O\n2 2 2 2 14\ndirect\n0.135744 0.561495 0.247452 Li\n0.864286 0.061502 0.752549 Li\n0.345460 0.733612 0.779936 Cr\n0.654429 0.233464 0.220037 Cr\n0.087408 0.759059 0.727304 C\n0.912564 0.259012 0.272663 C\n0.428405 0.233330 0.727753 S\n0.571620 0.733331 0.272249 S\n0.041025 0.301380 0.302582 O\n0.147030 0.739816 0.951552 O\n0.186929 0.732662 0.536218 O\n0.335577 0.050064 0.789111 O\n0.337300 0.417816 0.799394 O\n0.437468 0.729439 0.129226 O\n0.469354 0.239253 0.447755 O\n0.530655 0.739216 0.552288 O\n0.562552 0.229445 0.870742 O\n0.662704 0.917853 0.200650 O\n0.664495 0.550111 0.210891 O\n0.813075 0.232650 0.463789 O\n0.852941 0.239779 0.048490 O\n0.958981 0.801408 0.697368 O\n",
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"elements": [
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"S",
"O"
],
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"density": 2.3112817690213543,
"density_atomic": 0.0712099449476268,
"volume": 308.94561168640803,
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"formula_full": "Li2 Cr2 C2 S2 O14",
"formula_reduced": "LiCrCSO7",
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"updated_at": "2021-11-28T01:35:23.873000Z",
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},
{
"id": "mp-768072",
"created_at": "2022-09-04T14:41:17.747286Z",
"structure_string": "Na4 Mn4 P4 C4 O28\n1.0\n6.231935 0.000000 0.000000\n0.000000 9.204082 0.000000\n0.000000 0.481639 10.489264\nNa Mn P C O\n4 4 4 4 28\ndirect\n0.461557 0.237682 0.621457 Na\n0.038443 0.237682 0.121457 Na\n0.961557 0.762318 0.878543 Na\n0.538443 0.762318 0.378543 Na\n0.746049 0.344522 0.891640 Mn\n0.753951 0.344522 0.391640 Mn\n0.246049 0.655478 0.608360 Mn\n0.253951 0.655478 0.108360 Mn\n0.248498 0.435076 0.861675 P\n0.251502 0.435076 0.361675 P\n0.748498 0.564924 0.638325 P\n0.751502 0.564924 0.138325 P\n0.746256 0.084547 0.863897 C\n0.753744 0.084547 0.363897 C\n0.246256 0.915453 0.636103 C\n0.253744 0.915453 0.136103 C\n0.242573 0.047153 0.652306 O\n0.257427 0.047153 0.152306 O\n0.755467 0.145608 0.974899 O\n0.744533 0.145608 0.474899 O\n0.740395 0.186685 0.770134 O\n0.759605 0.186685 0.270134 O\n0.055322 0.334837 0.898104 O\n0.440958 0.332914 0.891323 O\n0.059042 0.332914 0.391323 O\n0.444678 0.334837 0.398104 O\n0.248766 0.477451 0.716613 O\n0.747008 0.426113 0.562732 O\n0.251234 0.477451 0.216613 O\n0.752992 0.426113 0.062732 O\n0.247008 0.573887 0.937268 O\n0.748766 0.522549 0.783387 O\n0.252992 0.573887 0.437268 O\n0.751234 0.522549 0.283387 O\n0.555322 0.665163 0.601896 O\n0.940958 0.667086 0.608677 O\n0.559042 0.667086 0.108677 O\n0.944678 0.665163 0.101896 O\n0.240395 0.813315 0.729866 O\n0.259605 0.813315 0.229866 O\n0.255467 0.854392 0.525101 O\n0.244533 0.854392 0.025101 O\n0.742573 0.952847 0.847694 O\n0.757427 0.952847 0.347694 O\n",
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"formula_full": "Na4 Mn4 P4 C4 O28",
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}
]
}