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{
"id": "mp-775207",
"created_at": "2022-09-04T14:48:30.348669Z",
"structure_string": "Li4 Cr1 P6 H8 O22\n1.0\n7.047059 0.000000 0.000000\n0.776632 7.528802 0.000000\n1.855142 0.483812 8.252292\nLi Cr P H O\n4 1 6 8 22\ndirect\n0.928944 0.650345 0.418269 Li\n0.675214 0.562163 0.766815 Li\n0.324786 0.437837 0.233185 Li\n0.071056 0.349655 0.581731 Li\n0.000000 0.000000 0.000000 Cr\n0.780048 0.978429 0.694991 P\n0.554189 0.781261 0.168449 P\n0.339439 0.708128 0.494913 P\n0.660561 0.291872 0.505087 P\n0.445811 0.218739 0.831551 P\n0.219952 0.021571 0.305009 P\n0.256412 0.762634 0.811847 H\n0.272061 0.731885 0.995162 H\n0.968760 0.609579 0.119078 H\n0.031052 0.587407 0.813980 H\n0.968948 0.412593 0.186020 H\n0.031240 0.390421 0.880922 H\n0.727939 0.268115 0.004838 H\n0.743588 0.237366 0.188153 H\n0.434582 0.977080 0.189252 O\n0.242054 0.909990 0.473143 O\n0.804112 0.785527 0.660509 O\n0.069520 0.942153 0.236596 O\n0.762705 0.805974 0.095300 O\n0.176620 0.774001 0.925283 O\n0.540876 0.712598 0.358343 O\n0.395167 0.683964 0.655354 O\n0.447665 0.658522 0.093606 O\n0.978836 0.475069 0.803452 O\n0.208298 0.580685 0.451509 O\n0.791702 0.419315 0.548491 O\n0.021164 0.524931 0.196548 O\n0.552335 0.341478 0.906394 O\n0.604833 0.316036 0.344646 O\n0.459124 0.287402 0.641657 O\n0.823380 0.225999 0.074717 O\n0.237295 0.194026 0.904700 O\n0.930480 0.057847 0.763404 O\n0.195888 0.214473 0.339491 O\n0.757946 0.090010 0.526857 O\n0.565418 0.022920 0.810748 O\n",
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"formula_full": "Li4 Cr1 P6 H8 O22",
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},
{
"id": "mp-782105",
"created_at": "2022-09-04T14:48:30.350846Z",
"structure_string": "Na12 Sb4 H120 S12 N40\n1.0\n6.160995 0.000000 0.000000\n0.000000 10.000472 0.000000\n0.000000 0.798667 34.039405\nNa Sb H S N\n12 4 120 12 40\ndirect\n0.498962 0.060445 0.412121 Na\n0.001038 0.060445 0.912121 Na\n0.550160 0.409728 0.322667 Na\n0.949840 0.409728 0.822667 Na\n0.479918 0.454638 0.446881 Na\n0.020082 0.454638 0.946881 Na\n0.979918 0.545362 0.053119 Na\n0.520082 0.545362 0.553119 Na\n0.050160 0.590272 0.177333 Na\n0.449840 0.590272 0.677333 Na\n0.998962 0.939555 0.087879 Na\n0.501038 0.939555 0.587879 Na\n0.965300 0.312587 0.398026 Sb\n0.534700 0.312587 0.898026 Sb\n0.465300 0.687413 0.101974 Sb\n0.034700 0.687413 0.601974 Sb\n0.738283 0.040514 0.012861 H\n0.125213 0.017737 0.357267 H\n0.789246 0.031817 0.239461 H\n0.761717 0.040514 0.512861 H\n0.835565 0.059546 0.161680 H\n0.374787 0.017737 0.857267 H\n0.327699 0.066898 0.103076 H\n0.710754 0.031817 0.739461 H\n0.664435 0.059546 0.661680 H\n0.294675 0.087395 0.183951 H\n0.113621 0.091086 0.467408 H\n0.362397 0.122558 0.058126 H\n0.172301 0.066898 0.603076 H\n0.690402 0.134070 0.127714 H\n0.356598 0.105787 0.486743 H\n0.205325 0.087395 0.683951 H\n0.386379 0.091086 0.967408 H\n0.137603 0.122558 0.558126 H\n0.619370 0.152893 0.229032 H\n0.809598 0.134070 0.627714 H\n0.143402 0.105787 0.986743 H\n0.791653 0.165448 0.265879 H\n0.111224 0.177906 0.206070 H\n0.396865 0.170243 0.309146 H\n0.880630 0.152893 0.729032 H\n0.708347 0.165448 0.765879 H\n0.272649 0.224544 0.091650 H\n0.388776 0.177906 0.706070 H\n0.292408 0.216713 0.266372 H\n0.103135 0.170243 0.809146 H\n0.146753 0.227240 0.307232 H\n0.294496 0.250772 0.177310 H\n0.227351 0.224544 0.591650 H\n0.858101 0.253476 0.072503 H\n0.207592 0.216713 0.766372 H\n0.353247 0.227240 0.807232 H\n0.205504 0.250772 0.677310 H\n0.641899 0.253476 0.572503 H\n0.735059 0.307647 0.032416 H\n0.201544 0.326838 0.023861 H\n0.783929 0.314936 0.188188 H\n0.764941 0.307647 0.532416 H\n0.645311 0.354523 0.075792 H\n0.298456 0.326838 0.523861 H\n0.899575 0.365083 0.146924 H\n0.716071 0.314936 0.688188 H\n0.111659 0.344147 0.489766 H\n0.854689 0.354523 0.575792 H\n0.600425 0.365083 0.646924 H\n0.651487 0.414546 0.156817 H\n0.388341 0.344147 0.989766 H\n0.851858 0.422654 0.248908 H\n0.331511 0.468108 0.018666 H\n0.342833 0.429267 0.232334 H\n0.848513 0.414546 0.656817 H\n0.974823 0.450402 0.290503 H\n0.648142 0.422654 0.748908 H\n0.168489 0.468108 0.518666 H\n0.157167 0.429267 0.732334 H\n0.525177 0.450402 0.790503 H\n0.474823 0.549598 0.209497 H\n0.842833 0.570733 0.267666 H\n0.831511 0.531892 0.481334 H\n0.351858 0.577346 0.251092 H\n0.025177 0.549598 0.709497 H\n0.151487 0.585454 0.343183 H\n0.657167 0.570733 0.767666 H\n0.668489 0.531892 0.981334 H\n0.148142 0.577346 0.751092 H\n0.611659 0.655853 0.010234 H\n0.348513 0.585454 0.843183 H\n0.399575 0.634917 0.353076 H\n0.145311 0.645477 0.424208 H\n0.888341 0.655853 0.510234 H\n0.283929 0.685064 0.311812 H\n0.100425 0.634917 0.853076 H\n0.701544 0.673162 0.476139 H\n0.354689 0.645477 0.924208 H\n0.235059 0.692353 0.467584 H\n0.216071 0.685064 0.811812 H\n0.798456 0.673162 0.976139 H\n0.264941 0.692353 0.967584 H\n0.358101 0.746524 0.427497 H\n0.794496 0.749228 0.322690 H\n0.646753 0.772760 0.192768 H\n0.792408 0.783287 0.233628 H\n0.141899 0.746524 0.927497 H\n0.772649 0.775456 0.408350 H\n0.705504 0.749228 0.822690 H\n0.853247 0.772760 0.692768 H\n0.896865 0.829757 0.190854 H\n0.707592 0.783287 0.733628 H\n0.611224 0.822094 0.293930 H\n0.727351 0.775456 0.908350 H\n0.291653 0.834552 0.234121 H\n0.119370 0.847107 0.270968 H\n0.603135 0.829757 0.690854 H\n0.888776 0.822094 0.793930 H\n0.208347 0.834552 0.734121 H\n0.856598 0.894213 0.013257 H\n0.190402 0.865930 0.372286 H\n0.380630 0.847107 0.770968 H\n0.862397 0.877442 0.441874 H\n0.613621 0.908914 0.032592 H\n0.794675 0.912605 0.316049 H\n0.643402 0.894213 0.513257 H\n0.309598 0.865930 0.872286 H\n0.827699 0.933102 0.396924 H\n0.637603 0.877442 0.941874 H\n0.886379 0.908914 0.532592 H\n0.705325 0.912605 0.816049 H\n0.335565 0.940454 0.338320 H\n0.289246 0.968183 0.260539 H\n0.672301 0.933102 0.896924 H\n0.625213 0.982263 0.142733 H\n0.164435 0.940454 0.838320 H\n0.238283 0.959486 0.487139 H\n0.210754 0.968183 0.760539 H\n0.874787 0.982263 0.642733 H\n0.261717 0.959486 0.987139 H\n0.791565 0.170859 0.349455 S\n0.708435 0.170859 0.849455 S\n0.773112 0.240556 0.457785 S\n0.726888 0.240556 0.957785 S\n0.295187 0.469562 0.114174 S\n0.204813 0.469562 0.614174 S\n0.795187 0.530438 0.385826 S\n0.704813 0.530438 0.885826 S\n0.273112 0.759444 0.042215 S\n0.226888 0.759444 0.542215 S\n0.291565 0.829141 0.150545 S\n0.208435 0.829141 0.650545 S\n0.755174 0.043495 0.135892 N\n0.262253 0.044610 0.470200 N\n0.744826 0.043495 0.635892 N\n0.237747 0.044610 0.970200 N\n0.260714 0.128515 0.081715 N\n0.776827 0.133839 0.237478 N\n0.239286 0.128515 0.581715 N\n0.272312 0.175935 0.198082 N\n0.723173 0.133839 0.737478 N\n0.227688 0.175935 0.698082 N\n0.299490 0.240354 0.295517 N\n0.200510 0.240354 0.795517 N\n0.783445 0.335257 0.059935 N\n0.716555 0.335257 0.559935 N\n0.261255 0.392732 0.003128 N\n0.801016 0.395511 0.169269 N\n0.238745 0.392732 0.503128 N\n0.698984 0.395511 0.669269 N\n0.836387 0.470947 0.274908 N\n0.663613 0.470947 0.774908 N\n0.336387 0.529053 0.225092 N\n0.163613 0.529053 0.725092 N\n0.301016 0.604489 0.330731 N\n0.761255 0.607268 0.496872 N\n0.198984 0.604489 0.830731 N\n0.738745 0.607268 0.996872 N\n0.283445 0.664743 0.440065 N\n0.216555 0.664743 0.940065 N\n0.799490 0.759646 0.204483 N\n0.700510 0.759646 0.704483 N\n0.772312 0.824065 0.301918 N\n0.276827 0.866161 0.262522 N\n0.727688 0.824065 0.801918 N\n0.760714 0.871485 0.418285 N\n0.223173 0.866161 0.762522 N\n0.739286 0.871485 0.918285 N\n0.762253 0.955390 0.029800 N\n0.255174 0.956505 0.364108 N\n0.737747 0.955390 0.529800 N\n0.244826 0.956505 0.864108 N\n",
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"H",
"S",
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],
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"volume": 2097.2650263168416,
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"formula_full": "Na12 Sb4 H120 S12 N40",
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"spacegroup": 14
},
{
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"created_at": "2022-09-04T14:48:30.360020Z",
"structure_string": "Na8 V2 O8\n1.0\n5.809624 0.000000 0.000000\n2.140151 5.425234 0.000000\n2.874069 0.453080 8.207928\nNa V O\n8 2 8\ndirect\n0.478693 0.734507 0.566542 Na\n0.948288 0.238114 0.603250 Na\n0.521307 0.265493 0.433458 Na\n0.051712 0.761886 0.396750 Na\n0.599770 0.742438 0.180291 Na\n0.760698 0.247419 0.016828 Na\n0.239302 0.752581 0.983172 Na\n0.400230 0.257562 0.819709 Na\n0.155501 0.282283 0.242338 V\n0.844499 0.717717 0.757662 V\n0.701914 0.972790 0.622174 O\n0.165068 0.520137 0.643611 O\n0.834932 0.479863 0.356389 O\n0.298086 0.027210 0.377826 O\n0.361443 0.476001 0.199634 O\n0.149916 0.141726 0.074113 O\n0.638557 0.523999 0.800366 O\n0.850084 0.858274 0.925887 O\n",
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{
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"structure_string": "Ca1 La2 Zr1 O6\n1.0\n0.000000 4.229078 4.229078\n4.229078 0.000000 4.229078\n4.229078 4.229078 0.000000\nCa La Zr O\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Ca\n0.750000 0.750000 0.750000 La\n0.250000 0.250000 0.250000 La\n0.000000 0.000000 0.000000 Zr\n0.243557 0.756443 0.756443 O\n0.756443 0.243557 0.243557 O\n0.756443 0.756443 0.243557 O\n0.243557 0.243557 0.756443 O\n0.756443 0.243557 0.756443 O\n0.243557 0.756443 0.243557 O\n",
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"formula_full": "Ca1 La2 Zr1 O6",
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{
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"created_at": "2022-09-04T14:48:30.368366Z",
"structure_string": "K3 Na1 Fe1 Cl6\n1.0\n6.904563 4.470276 0.000000\n-6.904563 4.470276 0.000000\n0.000000 0.666735 6.199256\nK Na Fe Cl\n3 1 1 6\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.500000 0.000000 K\n0.500000 0.000000 0.000000 K\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Fe\n0.250566 0.508959 0.328042 Cl\n0.233302 0.233302 0.752273 Cl\n0.508959 0.250566 0.328042 Cl\n0.749434 0.491041 0.671958 Cl\n0.766698 0.766698 0.247727 Cl\n0.491041 0.749434 0.671958 Cl\n",
"nsites": 11,
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"volume": 382.68382057063434,
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"formula_full": "K3 Na1 Fe1 Cl6",
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{
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