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{
"id": "mp-581496",
"created_at": "2022-09-04T14:47:00.447921Z",
"structure_string": "Ce3 Ag4 Sn4\n1.0\n-2.168613 4.238579 8.287507\n2.168613 -4.238579 8.287507\n2.168613 4.238579 -8.287507\nCe Ag Sn\n3 4 4\ndirect\n0.179902 0.179902 0.000000 Ce\n0.820098 0.820098 0.000000 Ce\n0.500000 0.000000 0.500000 Ce\n0.583352 0.377517 0.205835 Ag\n0.828319 0.622483 0.205835 Ag\n0.416648 0.622483 0.794165 Ag\n0.171681 0.377517 0.794165 Ag\n0.311607 0.811607 0.500000 Sn\n0.159681 0.000000 0.159681 Sn\n0.840319 0.000000 0.840319 Sn\n0.688393 0.188393 0.500000 Sn\n",
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"density": 7.229741274446956,
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"volume": 304.7096711901806,
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"formula_full": "Ce3 Ag4 Sn4",
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{
"id": "mp-766211",
"created_at": "2022-09-04T14:46:40.351805Z",
"structure_string": "Li3 Mn4 P6 O24\n1.0\n3.874473 2.651017 6.911062\n-4.296920 7.348743 -0.262017\n-0.382057 -4.765705 6.984287\nLi Mn P O\n3 4 6 24\ndirect\n0.012611 0.492756 0.979723 Li\n0.753034 0.640249 0.489444 Li\n0.486573 0.015813 0.015176 Li\n0.359289 0.856452 0.717176 Mn\n0.140956 0.649182 0.285010 Mn\n0.863023 0.353448 0.718120 Mn\n0.635290 0.145539 0.283570 Mn\n0.747438 0.971292 0.512693 P\n0.455407 0.528509 0.785037 P\n0.038053 0.251132 0.218468 P\n0.955123 0.751490 0.791089 P\n0.553970 0.462495 0.209846 P\n0.253693 0.034444 0.487775 P\n0.127388 0.795714 0.799980 O\n0.320504 0.978246 0.595756 O\n0.188330 0.884818 0.356914 O\n0.258187 0.552036 0.973429 O\n0.589043 0.937144 0.678474 O\n0.458423 0.719513 0.804002 O\n0.031834 0.434564 0.213898 O\n0.761970 0.919013 0.979609 O\n0.004376 0.297442 0.433341 O\n0.090826 0.230956 0.675684 O\n0.377198 0.526874 0.216356 O\n0.553579 0.603696 0.409405 O\n0.472455 0.376486 0.573917 O\n0.622054 0.477113 0.798036 O\n0.909368 0.769618 0.328704 O\n0.972195 0.707779 0.581096 O\n0.233249 0.096858 0.036208 O\n0.942296 0.579817 0.811866 O\n0.553530 0.265483 0.178024 O\n0.418027 0.054602 0.311547 O\n0.747783 0.438278 0.018402 O\n0.808523 0.120790 0.645862 O\n0.687047 0.018131 0.393953 O\n0.870522 0.201134 0.194795 O\n",
"nsites": 37,
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"elements": [
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],
"chemical_system": "Li-Mn-O-P",
"density": 3.0951829124318038,
"density_atomic": 0.08510159836714788,
"volume": 434.7744426652656,
"volume_molar": 7.076413223191294,
"formula_full": "Li3 Mn4 P6 O24",
"formula_reduced": "Li3Mn4(PO4)6",
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"energy": -282.81881633,
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"updated_at": "2021-11-28T01:37:48.887000Z",
"spacegroup": 1
},
{
"id": "mp-1177577",
"created_at": "2022-09-04T14:46:37.246403Z",
"structure_string": "Li12 Mn4 V4 P12 O48\n1.0\n8.617992 0.000000 0.000000\n-0.118569 8.791155 0.000000\n-0.347921 -0.022688 11.986829\nLi Mn V P O\n12 4 4 12 48\ndirect\n0.065036 0.486233 0.347695 Li\n0.078887 0.914073 0.690077 Li\n0.180481 0.220557 0.177912 Li\n0.321006 0.722415 0.322736 Li\n0.418796 0.413309 0.809702 Li\n0.435535 0.988983 0.153887 Li\n0.563864 0.015158 0.847089 Li\n0.580623 0.585358 0.191212 Li\n0.679935 0.277009 0.677886 Li\n0.820639 0.778906 0.822591 Li\n0.921154 0.085363 0.309844 Li\n0.935179 0.513136 0.651964 Li\n0.252441 0.035701 0.391977 Mn\n0.748080 0.964775 0.608190 Mn\n0.752075 0.463363 0.891128 Mn\n0.751638 0.027815 0.106815 Mn\n0.244219 0.971986 0.895258 V\n0.245825 0.534840 0.108130 V\n0.254109 0.472171 0.606205 V\n0.745212 0.527261 0.394687 V\n0.043219 0.750391 0.489676 P\n0.113821 0.617700 0.846170 P\n0.116431 0.887238 0.147871 P\n0.384334 0.117838 0.651938 P\n0.385418 0.389191 0.353595 P\n0.456031 0.252584 0.010597 P\n0.543212 0.751145 0.989360 P\n0.616382 0.610660 0.648854 P\n0.615570 0.881855 0.349171 P\n0.883951 0.110608 0.851466 P\n0.883633 0.381118 0.149475 P\n0.956909 0.249797 0.509941 P\n0.051164 0.107151 0.895329 O\n0.044944 0.129884 0.445671 O\n0.054900 0.335191 0.601202 O\n0.055841 0.420104 0.187243 O\n0.101476 0.637268 0.581278 O\n0.125075 0.794136 0.829581 O\n0.139194 0.579468 0.969512 O\n0.130819 0.006049 0.248400 O\n0.176233 0.730302 0.188146 O\n0.188788 0.821216 0.434107 O\n0.229832 0.529079 0.776244 O\n0.236800 0.950062 0.062708 O\n0.266088 0.448786 0.437749 O\n0.267581 0.028641 0.723308 O\n0.311090 0.324172 0.065012 O\n0.326890 0.230015 0.312336 O\n0.362295 0.080283 0.527436 O\n0.372417 0.506067 0.254064 O\n0.372465 0.294251 0.668890 O\n0.399367 0.139977 0.917659 O\n0.445722 0.836252 0.900120 O\n0.446206 0.917451 0.309179 O\n0.448697 0.604937 0.605396 O\n0.451510 0.632635 0.056075 O\n0.546180 0.374543 0.946529 O\n0.553006 0.391577 0.397807 O\n0.554179 0.081688 0.690961 O\n0.549583 0.170409 0.103125 O\n0.601790 0.864305 0.084452 O\n0.628422 0.705389 0.331305 O\n0.629870 0.492035 0.749002 O\n0.636325 0.918212 0.473987 O\n0.672575 0.769734 0.689438 O\n0.686494 0.681331 0.935158 O\n0.732874 0.972823 0.279830 O\n0.734726 0.550784 0.563934 O\n0.763352 0.048969 0.935407 O\n0.769658 0.468548 0.221569 O\n0.811257 0.179775 0.565611 O\n0.829081 0.268223 0.809959 O\n0.870981 0.992671 0.750068 O\n0.862194 0.419325 0.025341 O\n0.875253 0.203086 0.165943 O\n0.899358 0.363067 0.418049 O\n0.942380 0.580282 0.807614 O\n0.945788 0.664535 0.398362 O\n0.954745 0.870185 0.553819 O\n0.950887 0.886588 0.102989 O\n",
"nsites": 80,
"nelements": 5,
"elements": [
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"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 3.010548781597289,
"density_atomic": 0.08809142861815365,
"volume": 908.1473788644382,
"volume_molar": 6.83623918293337,
"formula_full": "Li12 Mn4 V4 P12 O48",
"formula_reduced": "Li3MnV(PO4)3",
"formula_anonymous": "ABC3D3E12",
"energy": -609.36228899,
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"spacegroup": 1
},
{
"id": "mp-554689",
"created_at": "2022-09-04T14:47:01.607501Z",
"structure_string": "Li2 Co2 F8\n1.0\n4.744618 0.000000 0.000000\n0.000000 5.531734 0.000000\n0.000000 2.320366 5.121130\nLi Co F\n2 2 8\ndirect\n0.500000 0.500000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.204795 0.853470 0.342501 F\n0.182514 0.321135 0.872785 F\n0.795205 0.146530 0.657499 F\n0.704795 0.146530 0.157499 F\n0.295205 0.853470 0.842501 F\n0.817486 0.678865 0.127215 F\n0.317486 0.321135 0.372785 F\n0.682514 0.678865 0.627215 F\n",
"nsites": 12,
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"elements": [
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"F"
],
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"density": 3.505376008701767,
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"volume": 134.40899724309304,
"volume_molar": 6.745249173402985,
"formula_full": "Li2 Co2 F8",
"formula_reduced": "LiCoF4",
"formula_anonymous": "ABC4",
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"updated_at": "2021-11-28T01:37:48.891000Z",
"spacegroup": 14
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{
"id": "mp-756240",
"created_at": "2022-09-04T14:47:03.680306Z",
"structure_string": "Li10 Cr4 Co6 O20\n1.0\n-1.019916 5.020160 -0.131377\n-10.230643 -0.419309 -0.043277\n2.350375 2.528184 6.982151\nLi Cr Co O\n10 4 6 20\ndirect\n0.000003 0.500004 0.499983 Li\n0.000032 0.000006 0.500051 Li\n0.503456 0.604988 0.414061 Li\n0.501018 0.105482 0.414112 Li\n0.496613 0.395007 0.585934 Li\n0.498964 0.894531 0.585928 Li\n0.509981 0.695252 0.788203 Li\n0.509314 0.194796 0.787237 Li\n0.490018 0.304779 0.211825 Li\n0.490783 0.805201 0.212792 Li\n0.000653 0.795986 0.695813 Cr\n0.996974 0.299262 0.695818 Cr\n0.998927 0.203889 0.304325 Cr\n0.003299 0.700659 0.303869 Cr\n0.500050 0.500016 0.999973 Co\n0.007381 0.601089 0.891053 Co\n0.992636 0.398923 0.109049 Co\n0.499975 0.000020 0.000017 Co\n0.007368 0.099236 0.888996 Co\n0.992684 0.900784 0.110989 Co\n0.231699 0.902434 0.860537 O\n0.229915 0.403526 0.859601 O\n0.768170 0.097539 0.139460 O\n0.770184 0.596519 0.140389 O\n0.759813 0.803041 0.949425 O\n0.759662 0.302068 0.947727 O\n0.240037 0.196950 0.050636 O\n0.240512 0.697973 0.052218 O\n0.769728 0.703513 0.547319 O\n0.768837 0.204182 0.547002 O\n0.230233 0.296448 0.452547 O\n0.231068 0.795831 0.453100 O\n0.256146 0.504518 0.231260 O\n0.256652 0.005495 0.231015 O\n0.743961 0.495461 0.768729 O\n0.743277 0.994557 0.768994 O\n0.226204 0.606598 0.667228 O\n0.224632 0.106587 0.667480 O\n0.773635 0.393448 0.332853 O\n0.775507 0.893403 0.332451 O\n",
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"formula_full": "Li10 Cr4 Co6 O20",
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{
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"created_at": "2022-09-04T14:46:58.647785Z",
"structure_string": "Na1 Co1 Cu3 Se4\n1.0\n5.826290 0.000000 0.000000\n0.000000 5.826290 0.000000\n0.000000 0.000000 5.826290\nNa Co Cu Se\n1 1 3 4\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.230673 0.230673 0.230673 Se\n0.769327 0.769327 0.230673 Se\n0.230673 0.769327 0.769327 Se\n0.769327 0.230673 0.769327 Se\n",
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"formula_full": "Na1 Co1 Cu3 Se4",
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{
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"structure_string": "Tm5 Te1 Se4\n1.0\n16.651779 -2.041387 0.000000\n16.651779 2.041387 0.000000\n16.401520 0.000000 3.526918\nTm Te Se\n5 1 4\ndirect\n0.706337 0.706337 0.706337 Tm\n0.100940 0.100940 0.100940 Tm\n0.500000 0.500000 0.500000 Tm\n0.293663 0.293663 0.293663 Tm\n0.899060 0.899060 0.899060 Tm\n0.000000 0.000000 0.000000 Te\n0.596738 0.596738 0.596738 Se\n0.198966 0.198966 0.198966 Se\n0.801034 0.801034 0.801034 Se\n0.403262 0.403262 0.403262 Se\n",
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"formula_full": "Tm5 Te1 Se4",
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{
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"created_at": "2022-09-04T14:46:55.294087Z",
"structure_string": "Sr4 Y4 V4 O14\n1.0\n-2.825163 2.870473 12.025222\n2.825163 -2.870473 12.025222\n2.825163 2.870473 -12.025222\nSr Y V O\n4 4 4 14\ndirect\n0.832246 0.838722 0.959991 Sr\n0.167754 0.127745 0.006476 Sr\n0.621270 0.627745 0.959991 Sr\n0.378730 0.338722 0.006476 Sr\n0.500000 0.474476 0.974476 Y\n0.000000 0.974476 0.974476 Y\n0.199703 0.771855 0.471558 Y\n0.800297 0.271855 0.572152 Y\n0.929320 0.397799 0.468099 V\n0.070680 0.538779 0.468479 V\n0.570301 0.038779 0.468099 V\n0.429699 0.897799 0.468479 V\n0.833149 0.662884 0.996033 O\n0.166851 0.162884 0.829735 O\n0.728121 0.696620 0.550085 O\n0.271879 0.821964 0.968499 O\n0.353465 0.321964 0.550085 O\n0.646535 0.196620 0.968499 O\n0.137466 0.104443 0.375690 O\n0.862534 0.238224 0.966977 O\n0.771247 0.738224 0.375690 O\n0.228753 0.604443 0.966977 O\n0.375822 0.789265 0.493047 O\n0.624178 0.117224 0.413442 O\n0.203782 0.617224 0.493047 O\n0.796218 0.289265 0.413442 O\n",
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{
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{
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