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{
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"results": [
{
"id": "mp-504945",
"created_at": "2022-09-04T14:44:28.748782Z",
"structure_string": "Mn2 Fe2 H8 O4 F10\n1.0\n5.951068 -0.000059 3.019087\n1.896358 6.326428 3.636118\n-0.083941 0.019093 7.538744\nMn Fe H O F\n2 2 8 4 10\ndirect\n0.999791 0.999910 0.999723 Mn\n0.500427 0.500281 0.500159 Mn\n0.500279 0.999761 0.500179 Fe\n0.499909 0.499679 0.000449 Fe\n0.291702 0.988953 0.193898 H\n0.976471 0.510896 0.305631 H\n0.708086 0.806057 0.010946 H\n0.023970 0.694069 0.489191 H\n0.708078 0.011027 0.805965 H\n0.023814 0.489139 0.694171 H\n0.291714 0.194013 0.988865 H\n0.976387 0.305852 0.510715 H\n0.233084 0.069664 0.069471 O\n0.874228 0.430358 0.430097 O\n0.766590 0.930477 0.930389 O\n0.126246 0.569724 0.569856 O\n0.429773 0.248148 0.248336 F\n0.570010 0.751724 0.751853 F\n0.424362 0.835231 0.414527 F\n0.174862 0.664598 0.086208 F\n0.575319 0.585574 0.164984 F\n0.825099 0.913757 0.335343 F\n0.575340 0.164983 0.585526 F\n0.825018 0.335411 0.913753 F\n0.424508 0.414510 0.835223 F\n0.174933 0.086204 0.664542 F\n",
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{
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"created_at": "2022-09-04T14:44:26.180885Z",
"structure_string": "Co2 P4 W2 O16\n1.0\n-0.103355 0.000020 4.954516\n10.182278 -0.000049 -0.226396\n0.000000 5.980462 0.000020\nCo P W O\n2 4 2 16\ndirect\n0.933856 0.281781 0.249999 Co\n0.066144 0.718219 0.750004 Co\n0.402340 0.092088 0.250003 P\n0.597660 0.907912 0.749998 P\n0.891740 0.406643 0.750001 P\n0.108261 0.593356 0.250000 P\n0.444096 0.220223 0.750001 W\n0.555901 0.779776 0.250000 W\n0.685032 0.053677 0.749996 O\n0.314967 0.946324 0.250002 O\n0.705479 0.114893 0.249996 O\n0.294521 0.885107 0.750001 O\n0.191152 0.378270 0.750005 O\n0.808851 0.621731 0.249994 O\n0.154595 0.448304 0.250008 O\n0.845404 0.551696 0.749995 O\n0.265182 0.164871 0.045446 O\n0.265188 0.164870 0.454558 O\n0.734814 0.835131 0.545443 O\n0.734819 0.835128 0.954554 O\n0.734899 0.330053 0.552593 O\n0.734891 0.330058 0.947410 O\n0.265109 0.669942 0.052589 O\n0.265100 0.669948 0.447404 O\n",
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"elements": [
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"O"
],
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"formula_full": "Co2 P4 W2 O16",
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"updated_at": "2021-11-28T01:36:33.477000Z",
"spacegroup": 11
},
{
"id": "mp-1221556",
"created_at": "2022-09-04T14:44:19.461935Z",
"structure_string": "Na4 Mg1 V10 H44 O52\n1.0\n9.066134 0.000000 0.000000\n-2.146145 11.251902 0.000000\n-1.359657 -3.433835 11.247818\nNa Mg V H O\n4 1 10 44 52\ndirect\n0.713613 0.594637 0.294918 Na\n0.286387 0.405363 0.705082 Na\n0.500000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Mg\n0.030836 0.973582 0.226722 V\n0.969164 0.026418 0.773278 V\n0.168079 0.257185 0.245624 V\n0.831921 0.742815 0.754376 V\n0.813603 0.158550 0.208611 V\n0.186397 0.841450 0.791389 V\n0.961326 0.235247 0.001356 V\n0.038674 0.764753 0.998644 V\n0.184143 0.052077 0.020757 V\n0.815857 0.947923 0.979243 V\n0.245518 0.595759 0.102938 H\n0.754482 0.404241 0.897062 H\n0.746020 0.741782 0.119412 H\n0.253980 0.258218 0.880588 H\n0.988914 0.591304 0.184316 H\n0.011086 0.408696 0.815684 H\n0.649909 0.334892 0.112592 H\n0.350091 0.665108 0.887408 H\n0.793112 0.457189 0.468251 H\n0.206888 0.542811 0.531749 H\n0.582702 0.738891 0.148336 H\n0.417298 0.261109 0.851664 H\n0.239294 0.464853 0.120065 H\n0.760706 0.535147 0.879935 H\n0.943009 0.820005 0.412090 H\n0.056991 0.179995 0.587910 H\n0.398573 0.857489 0.279842 H\n0.601427 0.142511 0.720158 H\n0.253725 0.844763 0.343470 H\n0.746275 0.155237 0.656530 H\n0.364759 0.864498 0.100978 H\n0.635241 0.135502 0.899022 H\n0.641190 0.874762 0.631287 H\n0.358810 0.125238 0.368713 H\n0.483959 0.320565 0.137702 H\n0.516041 0.679435 0.862298 H\n0.411986 0.600392 0.290281 H\n0.588014 0.399608 0.709719 H\n0.464845 0.845349 0.641232 H\n0.535155 0.154651 0.358768 H\n0.741295 0.899531 0.432539 H\n0.258705 0.100469 0.567461 H\n0.876413 0.808530 0.527851 H\n0.123587 0.191470 0.472149 H\n0.689717 0.366705 0.353737 H\n0.310283 0.633295 0.646263 H\n0.955519 0.461987 0.209557 H\n0.044481 0.538013 0.790443 H\n0.540448 0.919262 0.125674 H\n0.459552 0.080738 0.874326 H\n0.746698 0.004123 0.370826 H\n0.253302 0.995877 0.629174 H\n0.472409 0.712127 0.403839 H\n0.527591 0.287873 0.596161 H\n0.109383 0.148954 0.919813 O\n0.890617 0.851046 0.080187 O\n0.849127 0.792127 0.441730 O\n0.150873 0.207873 0.558270 O\n0.170762 0.930770 0.107295 O\n0.829238 0.069230 0.892705 O\n0.295337 0.179522 0.131646 O\n0.704663 0.820478 0.868354 O\n0.057213 0.880527 0.308754 O\n0.942787 0.119473 0.691246 O\n0.571480 0.382399 0.132320 O\n0.428520 0.617601 0.867680 O\n0.485272 0.628408 0.365328 O\n0.514728 0.371592 0.634672 O\n0.708146 0.452193 0.406711 O\n0.291854 0.547807 0.593289 O\n0.937548 0.546214 0.234433 O\n0.062452 0.453786 0.765567 O\n0.869025 0.035019 0.274243 O\n0.130975 0.964981 0.725757 O\n0.460808 0.858696 0.144179 O\n0.539192 0.141304 0.855821 O\n0.661943 0.690527 0.143716 O\n0.338057 0.309473 0.856284 O\n0.930987 0.327812 0.919320 O\n0.069013 0.672188 0.080680 O\n0.364073 0.849997 0.355228 O\n0.635927 0.150003 0.644772 O\n0.311779 0.541933 0.120830 O\n0.688221 0.458067 0.879170 O\n0.985826 0.271100 0.297027 O\n0.014174 0.728900 0.702973 O\n0.697249 0.008114 0.073559 O\n0.302751 0.991886 0.926441 O\n0.996355 0.087172 0.095826 O\n0.003645 0.912828 0.904174 O\n0.113506 0.331232 0.123799 O\n0.886494 0.668767 0.876201 O\n0.172748 0.119542 0.307013 O\n0.827252 0.880458 0.692987 O\n0.537073 0.870725 0.590772 O\n0.462927 0.129275 0.409228 O\n0.296650 0.367250 0.343224 O\n0.703350 0.632750 0.656776 O\n0.809432 0.244080 0.092616 O\n0.190568 0.755920 0.907384 O\n0.687700 0.965729 0.422389 O\n0.312300 0.034271 0.577611 O\n0.675826 0.197928 0.280270 O\n0.324174 0.802072 0.719730 O\n0.110419 0.646733 0.448156 O\n0.889581 0.353267 0.551844 O\n",
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"elements": [
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"V",
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],
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"density": 2.1737113652379443,
"density_atomic": 0.09674012041057689,
"volume": 1147.403988426957,
"volume_molar": 6.2250705647680595,
"formula_full": "Na4 Mg1 V10 H44 O52",
"formula_reduced": "Na4MgV10(H11O13)4",
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"updated_at": "2021-11-28T01:36:26.881000Z",
"spacegroup": 2
},
{
"id": "mp-1213840",
"created_at": "2022-09-04T14:44:23.634896Z",
"structure_string": "Ce8 Sn1 Pd24\n1.0\n8.486964 0.000000 0.000000\n0.000000 8.486964 0.000000\n0.000000 0.000000 8.486964\nCe Sn Pd\n8 1 24\ndirect\n0.247877 0.247877 0.247877 Ce\n0.752123 0.752123 0.752123 Ce\n0.752123 0.752123 0.247877 Ce\n0.752123 0.247877 0.752123 Ce\n0.247877 0.247877 0.752123 Ce\n0.247877 0.752123 0.247877 Ce\n0.247877 0.752123 0.752123 Ce\n0.752123 0.247877 0.247877 Ce\n0.000000 0.000000 0.000000 Sn\n0.267221 0.500000 0.000000 Pd\n0.732779 0.500000 0.000000 Pd\n0.000000 0.267221 0.500000 Pd\n0.500000 0.267221 0.000000 Pd\n0.000000 0.732779 0.500000 Pd\n0.500000 0.732779 0.000000 Pd\n0.500000 0.000000 0.267221 Pd\n0.267221 0.000000 0.500000 Pd\n0.500000 0.000000 0.732779 Pd\n0.732779 0.000000 0.500000 Pd\n0.000000 0.500000 0.267221 Pd\n0.000000 0.500000 0.732779 Pd\n0.254906 0.500000 0.500000 Pd\n0.745094 0.500000 0.500000 Pd\n0.500000 0.254906 0.500000 Pd\n0.500000 0.745094 0.500000 Pd\n0.500000 0.500000 0.254906 Pd\n0.500000 0.500000 0.745094 Pd\n0.315777 0.000000 0.000000 Pd\n0.684223 0.000000 0.000000 Pd\n0.000000 0.315777 0.000000 Pd\n0.000000 0.684223 0.000000 Pd\n0.000000 0.000000 0.315777 Pd\n0.000000 0.000000 0.684223 Pd\n",
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],
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"formula_full": "Ce8 Sn1 Pd24",
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},
{
"id": "mp-1518884",
"created_at": "2022-09-04T14:44:26.181135Z",
"structure_string": "Ba1 Ca1 Mn1 Sn1 O6\n1.0\n0.000000 -4.011772 -4.011772\n4.011772 0.000000 -4.011772\n4.011772 -4.011772 0.000000\nBa Ca Mn Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ca\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Sn\n0.757553 0.242447 0.242447 O\n0.242447 0.757553 0.757553 O\n0.757553 0.242447 0.757553 O\n0.242447 0.757553 0.242447 O\n0.757553 0.757553 0.242447 O\n0.242447 0.242447 0.757553 O\n",
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{
"id": "mp-759402",
"created_at": "2022-09-04T14:44:28.752689Z",
"structure_string": "Li8 Cr2 P12 H16 O44\n1.0\n15.380470 0.000000 0.000000\n0.000000 7.485449 0.000000\n0.000000 0.592905 8.137089\nLi Cr P H O\n8 2 12 16 44\ndirect\n0.275725 0.467367 0.657509 Li\n0.386779 0.359427 0.110362 Li\n0.886779 0.140573 0.889638 Li\n0.775725 0.032633 0.342491 Li\n0.224275 0.967367 0.657509 Li\n0.113221 0.859427 0.110362 Li\n0.613221 0.640573 0.889638 Li\n0.724275 0.532633 0.342491 Li\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.500000 Cr\n0.063296 0.436262 0.191721 P\n0.677746 0.260120 0.027435 P\n0.683352 0.336018 0.681498 P\n0.183352 0.163982 0.318502 P\n0.177746 0.239880 0.972565 P\n0.563296 0.063738 0.808279 P\n0.436704 0.936262 0.191721 P\n0.822254 0.760120 0.027435 P\n0.816648 0.836018 0.681498 P\n0.316648 0.663982 0.318502 P\n0.322254 0.739880 0.972565 P\n0.936704 0.563738 0.808279 P\n0.579108 0.371077 0.248221 H\n0.355360 0.267843 0.509874 H\n0.414409 0.250199 0.676192 H\n0.508710 0.229224 0.309523 H\n0.008710 0.270776 0.690477 H\n0.914409 0.249801 0.323808 H\n0.855360 0.232157 0.490126 H\n0.079108 0.128923 0.751779 H\n0.920892 0.871077 0.248221 H\n0.144640 0.767843 0.509874 H\n0.085591 0.750199 0.676192 H\n0.991290 0.729224 0.309523 H\n0.491290 0.770776 0.690477 H\n0.585591 0.749801 0.323808 H\n0.644640 0.732157 0.490126 H\n0.420892 0.628923 0.751779 H\n0.112708 0.396211 0.023386 O\n0.626720 0.427328 0.058955 O\n0.619139 0.484204 0.705735 O\n0.977666 0.342639 0.202110 O\n0.131127 0.350545 0.330182 O\n0.934711 0.364423 0.795195 O\n0.551356 0.317620 0.351052 O\n0.387395 0.337334 0.588741 O\n0.746464 0.355959 0.541723 O\n0.735276 0.295188 0.856987 O\n0.735772 0.183806 0.160061 O\n0.235772 0.316194 0.839939 O\n0.235276 0.204812 0.143013 O\n0.246464 0.144041 0.458277 O\n0.887395 0.162666 0.411259 O\n0.051356 0.182380 0.648948 O\n0.434711 0.135577 0.204805 O\n0.631127 0.149455 0.669818 O\n0.477666 0.157361 0.797890 O\n0.119139 0.015796 0.294265 O\n0.126720 0.072672 0.941045 O\n0.612708 0.103789 0.976614 O\n0.387292 0.896211 0.023386 O\n0.873280 0.927328 0.058955 O\n0.880861 0.984204 0.705735 O\n0.522334 0.842639 0.202110 O\n0.368873 0.850545 0.330182 O\n0.565289 0.864423 0.795195 O\n0.948644 0.817620 0.351052 O\n0.112605 0.837334 0.588741 O\n0.753536 0.855959 0.541723 O\n0.764724 0.795188 0.856987 O\n0.764228 0.683806 0.160061 O\n0.264228 0.816194 0.839939 O\n0.264724 0.704812 0.143013 O\n0.253536 0.644041 0.458277 O\n0.612605 0.662666 0.411259 O\n0.448644 0.682380 0.648948 O\n0.065289 0.635577 0.204805 O\n0.868873 0.649455 0.669818 O\n0.022334 0.657361 0.797890 O\n0.380861 0.515796 0.294265 O\n0.373280 0.572672 0.941045 O\n0.887292 0.603789 0.976614 O\n",
"nsites": 82,
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"elements": [
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],
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"volume_molar": 6.880081437077988,
"formula_full": "Li8 Cr2 P12 H16 O44",
"formula_reduced": "Li4CrP6(H4O11)2",
"formula_anonymous": "AB4C6D8E22",
"energy": -551.69574892,
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"spacegroup": 14
},
{
"id": "mp-21893",
"created_at": "2022-09-04T14:44:19.405289Z",
"structure_string": "Mn4 Te8\n1.0\n6.693249 0.000000 0.000000\n0.000000 6.693249 0.000000\n0.000000 0.000000 6.693249\nMn Te\n4 8\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.365670 0.365670 0.365670 Te\n0.134330 0.634330 0.865670 Te\n0.865670 0.134330 0.634330 Te\n0.634330 0.865670 0.134330 Te\n0.634330 0.634330 0.634330 Te\n0.865670 0.365670 0.134330 Te\n0.134330 0.865670 0.365670 Te\n0.365670 0.134330 0.865670 Te\n",
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],
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