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{
"id": "mp-1176201",
"created_at": "2022-09-04T14:43:37.265136Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n3.028049 0.000000 0.000000\n1.169120 7.750366 0.000000\n0.043795 0.064800 12.473186\nLi Mn Co O\n9 2 5 16\ndirect\n0.189992 0.624531 0.064788 Li\n0.936718 0.123337 0.313968 Li\n0.688763 0.624783 0.564808 Li\n0.814675 0.375214 0.936149 Li\n0.564798 0.875438 0.188608 Li\n0.314202 0.369732 0.441323 Li\n0.432616 0.130574 0.807134 Li\n0.060193 0.875658 0.683495 Li\n0.874904 0.248723 0.624262 Li\n0.993830 0.001183 0.000162 Mn\n0.629299 0.746974 0.871898 Mn\n0.749790 0.501940 0.252238 Co\n0.491746 0.011063 0.503275 Co\n0.263324 0.486405 0.744194 Co\n0.368530 0.253066 0.127311 Co\n0.124503 0.751582 0.377321 Co\n0.628918 0.813818 0.023150 O\n0.325949 0.320461 0.274588 O\n0.118315 0.820086 0.522332 O\n0.246672 0.563390 0.892259 O\n0.953799 0.067854 0.150643 O\n0.719419 0.564553 0.401032 O\n0.867140 0.326254 0.777376 O\n0.476904 0.051120 0.640638 O\n0.783926 0.437165 0.102229 O\n0.541438 0.934289 0.356507 O\n0.272256 0.446021 0.607223 O\n0.370558 0.186188 0.978035 O\n0.174285 0.684747 0.228449 O\n0.885654 0.171697 0.471144 O\n0.001008 0.935077 0.848674 O\n0.635878 0.677075 0.724784 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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{
"id": "mp-1236252",
"created_at": "2022-09-04T14:43:57.341114Z",
"structure_string": "Li1 Sm4 V4 O12\n1.0\n5.414128 0.067626 -0.004947\n0.071841 5.931490 -0.050360\n-0.007528 -0.058564 7.824942\nLi Sm V O\n1 4 4 12\ndirect\n0.863191 0.259102 0.354139 Li\n0.985071 0.428603 0.748081 Sm\n0.034060 0.608451 0.233956 Sm\n0.447888 0.071933 0.250028 Sm\n0.527549 0.925217 0.748628 Sm\n0.004148 0.973251 0.516832 V\n0.495493 0.497669 0.500397 V\n0.996043 0.012246 0.995552 V\n0.507241 0.499018 0.998197 V\n0.316950 0.788430 0.435795 O\n0.682049 0.195679 0.552836 O\n0.798645 0.679258 0.557017 O\n0.182944 0.312018 0.439088 O\n0.805577 0.698175 0.945569 O\n0.199020 0.312418 0.057736 O\n0.303456 0.808434 0.054689 O\n0.698151 0.200351 0.936785 O\n0.883847 0.977413 0.245967 O\n0.120360 0.042109 0.761546 O\n0.388846 0.541785 0.754204 O\n0.628518 0.449689 0.246290 O\n",
"nsites": 21,
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"elements": [
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"chemical_system": "Li-O-Sm-V",
"density": 6.636871969844739,
"density_atomic": 0.08358713813242225,
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"formula_full": "Li1 Sm4 V4 O12",
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"updated_at": "2021-11-28T01:36:41.340000Z",
"spacegroup": 1
},
{
"id": "mp-1273773",
"created_at": "2022-09-04T14:43:44.430537Z",
"structure_string": "V4 O4 F8\n1.0\n5.300325 0.000067 0.000642\n0.000583 3.301515 4.301330\n0.000285 -6.056088 4.239729\nV O F\n4 4 8\ndirect\n0.487841 0.499853 0.530330 V\n0.512196 0.499967 0.030393 V\n0.012230 0.000009 0.969632 V\n0.987886 0.000144 0.469636 V\n0.567499 0.500112 0.252973 O\n0.067703 0.000177 0.747030 O\n0.931993 0.000790 0.246956 O\n0.432381 0.499293 0.752780 O\n0.697905 0.196031 0.960864 F\n0.191015 0.693108 0.461002 F\n0.691218 0.806792 0.539297 F\n0.197963 0.303884 0.039115 F\n0.806923 0.695006 0.960835 F\n0.304338 0.193763 0.460973 F\n0.804274 0.306218 0.538864 F\n0.306637 0.804853 0.039319 F\n",
"nsites": 16,
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"elements": [
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"chemical_system": "F-O-V",
"density": 3.2837550747244277,
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"formula_full": "V4 O4 F8",
"formula_reduced": "VOF2",
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"updated_at": "2021-11-28T01:36:14.761000Z",
"spacegroup": 14
},
{
"id": "mp-758858",
"created_at": "2022-09-04T14:43:43.579810Z",
"structure_string": "Li8 V4 O8 F4\n1.0\n-0.000080 -2.083652 -2.083750\n-0.007500 8.434122 -8.434471\n6.319681 0.010582 -2.094258\nLi V O F\n8 4 8 4\ndirect\n0.999986 0.255846 0.999993 Li\n0.999992 0.755824 0.999978 Li\n0.333337 0.327490 0.333347 Li\n0.333328 0.827509 0.333365 Li\n0.666513 0.178848 0.666953 Li\n0.666491 0.678837 0.666994 Li\n0.666855 0.404514 0.666289 Li\n0.666871 0.904530 0.666256 Li\n0.996291 0.995742 0.007413 V\n0.337069 0.587589 0.325915 V\n0.996264 0.495556 0.007473 V\n0.337082 0.087786 0.325880 V\n0.500413 0.117185 0.999178 O\n0.500381 0.617246 0.999229 O\n0.832992 0.466139 0.334165 O\n0.833016 0.966073 0.334121 O\n0.503785 0.385148 0.992424 O\n0.503801 0.885088 0.992392 O\n0.829550 0.198160 0.340965 O\n0.829521 0.698230 0.341013 O\n0.166607 0.041665 0.666649 F\n0.166612 0.541658 0.666649 F\n0.166623 0.291669 0.666678 F\n0.166622 0.791669 0.666678 F\n",
"nsites": 24,
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"elements": [
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"F"
],
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"density": 3.4627314841230517,
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"volume": 222.16542433799543,
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"formula_full": "Li8 V4 O8 F4",
"formula_reduced": "Li2VO2F",
"formula_anonymous": "ABC2D2",
"energy": -162.80138615,
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"spacegroup": 12
},
{
"id": "mp-1175291",
"created_at": "2022-09-04T14:43:35.235629Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n-3.013089 0.000000 0.000000\n-0.137811 -8.151715 0.000000\n0.804559 4.026215 9.031897\nLi Mn Co O\n7 4 1 12\ndirect\n0.013381 0.829538 0.654991 Li\n0.509359 0.345174 0.167188 Li\n0.503516 0.981830 0.492540 Li\n0.991261 0.507921 0.002625 Li\n0.993987 0.163101 0.334796 Li\n0.487962 0.671576 0.842307 Li\n0.985998 0.676799 0.342575 Li\n0.996767 0.998499 0.004568 Mn\n0.504710 0.506089 0.493227 Mn\n0.503794 0.166248 0.834454 Mn\n0.010254 0.329597 0.661230 Mn\n0.487606 0.825995 0.175257 Co\n0.529806 0.929397 0.841639 O\n0.975018 0.428536 0.353571 O\n0.033902 0.093644 0.671808 O\n0.504689 0.607022 0.162756 O\n0.535745 0.264905 0.504583 O\n0.021109 0.761012 0.005716 O\n0.494031 0.734273 0.500982 O\n0.965858 0.241304 0.001977 O\n0.972633 0.908800 0.318519 O\n0.473370 0.404386 0.825665 O\n0.472376 0.059545 0.163454 O\n0.032869 0.564805 0.643573 O\n",
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"density": 3.8868552820820605,
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"volume": 221.84003427843118,
"volume_molar": 5.566466302616407,
"formula_full": "Li7 Mn4 Co1 O12",
"formula_reduced": "Li7Mn4CoO12",
"formula_anonymous": "AB4C7D12",
"energy": -164.93510587,
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{
"id": "mp-1048881",
"created_at": "2022-09-04T14:43:34.981428Z",
"structure_string": "Ca2 La2 Cr2 Bi2 O12\n1.0\n5.881138 0.000000 0.000000\n0.000000 5.684345 0.000000\n0.000000 5.557992 8.193799\nCa La Cr Bi O\n2 2 2 2 12\ndirect\n0.806598 0.228822 0.252598 Ca\n0.193402 0.228822 0.752598 Ca\n0.305950 0.768014 0.249095 La\n0.694050 0.768014 0.749095 La\n0.249058 0.000518 0.500440 Cr\n0.750942 0.000518 0.000440 Cr\n0.246759 0.501082 0.998810 Bi\n0.753241 0.501082 0.498810 Bi\n0.799194 0.347834 0.766759 O\n0.036403 0.116829 0.063837 O\n0.061858 0.777133 0.438420 O\n0.563292 0.225736 0.061110 O\n0.536141 0.884437 0.435971 O\n0.294290 0.649590 0.732960 O\n0.200806 0.347834 0.266759 O\n0.963597 0.116829 0.563837 O\n0.938142 0.777133 0.938420 O\n0.436708 0.225736 0.561110 O\n0.463859 0.884437 0.935971 O\n0.705710 0.649590 0.232960 O\n",
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"elements": [
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"density": 6.498025706269742,
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"volume": 273.9221205356001,
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"formula_full": "Ca2 La2 Cr2 Bi2 O12",
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{
"id": "mp-1196501",
"created_at": "2022-09-04T14:43:35.658067Z",
"structure_string": "Al4 Si6 N4 O20\n1.0\n0.000000 9.387084 9.449144\n3.315740 0.000000 9.449144\n3.315740 9.387084 0.000000\nAl Si N O\n4 6 4 20\ndirect\n0.938724 0.754596 0.635918 Al\n0.670763 0.635918 0.754596 Al\n0.614082 0.579237 0.311276 Al\n0.495404 0.311276 0.579237 Al\n0.194676 0.305324 0.305324 Si\n0.944676 0.055324 0.055324 Si\n0.177405 0.753423 0.623428 Si\n0.445743 0.623428 0.753423 Si\n0.626572 0.804257 0.072595 Si\n0.496577 0.072595 0.804257 Si\n0.551937 0.337762 0.030316 N\n0.079985 0.030316 0.337762 N\n0.219684 0.170015 0.698063 N\n0.912238 0.698063 0.170015 N\n0.134490 0.500230 0.399586 O\n0.965694 0.399586 0.500230 O\n0.850414 0.284306 0.115510 O\n0.749770 0.115510 0.284306 O\n0.047548 0.815181 0.596801 O\n0.540470 0.596801 0.815181 O\n0.653199 0.709530 0.202452 O\n0.434819 0.202452 0.709530 O\n0.836337 0.737260 0.862954 O\n0.563449 0.862954 0.737260 O\n0.387046 0.686551 0.413663 O\n0.512740 0.413663 0.686551 O\n0.290582 0.533064 0.622357 O\n0.553997 0.622357 0.533064 O\n0.627643 0.696003 0.959418 O\n0.716936 0.959418 0.696003 O\n0.998894 0.969608 0.861392 O\n0.170106 0.861392 0.969608 O\n0.388608 0.079894 0.251106 O\n0.280392 0.251106 0.079894 O\n",
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"formula_full": "Al4 Si6 N4 O20",
"formula_reduced": "Al2Si3(NO5)2",
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"energy": -247.70509627,
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{
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"created_at": "2022-09-04T14:43:57.391150Z",
"structure_string": "La2 N2 O10\n1.0\n3.778907 0.000000 0.000000\n0.000000 6.899846 0.000000\n0.000000 0.129447 8.295646\nLa N O\n2 2 10\ndirect\n0.254319 0.728087 0.131422 La\n0.754319 0.271913 0.868578 La\n0.639015 0.765093 0.454059 N\n0.139015 0.234907 0.545941 N\n0.760199 0.845724 0.318445 O\n0.260199 0.154276 0.681555 O\n0.763475 0.806921 0.584208 O\n0.263475 0.193079 0.415792 O\n0.743239 0.961165 0.984320 O\n0.243239 0.038835 0.015680 O\n0.755390 0.502765 0.082328 O\n0.255390 0.497235 0.917672 O\n0.386363 0.646766 0.434624 O\n0.886363 0.353234 0.565376 O\n",
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"formula_full": "La2 N2 O10",
"formula_reduced": "LaNO5",
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{
"id": "mp-1206033",
"created_at": "2022-09-04T14:43:43.889879Z",
"structure_string": "V2 Ni2 O6\n1.0\n4.975975 0.000000 0.000000\n2.483561 4.458193 0.000000\n2.393598 1.563049 4.619899\nV Ni O\n2 2 6\ndirect\n0.648030 0.659742 0.047939 V\n0.351970 0.340258 0.952061 V\n0.851435 0.852374 0.443825 Ni\n0.148565 0.147626 0.556175 Ni\n0.269436 0.938880 0.237423 O\n0.730564 0.061120 0.762577 O\n0.455694 0.731049 0.762859 O\n0.544306 0.268951 0.237141 O\n0.930311 0.556928 0.238603 O\n0.069689 0.443072 0.761397 O\n",
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"formula_full": "V2 Ni2 O6",
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{
"id": "mp-1173916",
"created_at": "2022-09-04T14:43:37.715883Z",
"structure_string": "Li4 Mn2 Co2 O8\n1.0\n5.041407 0.000000 0.000000\n1.701707 5.555532 0.000000\n1.185149 2.624150 5.332985\nLi Mn Co O\n4 2 2 8\ndirect\n0.255315 0.123258 0.874364 Li\n0.755149 0.373292 0.624645 Li\n0.744685 0.876742 0.125636 Li\n0.244851 0.626708 0.375355 Li\n0.750803 0.372090 0.129317 Mn\n0.249197 0.627910 0.870683 Mn\n0.749279 0.876614 0.622328 Co\n0.250721 0.123386 0.377672 Co\n0.496888 0.223469 0.503741 O\n0.002164 0.474193 0.256432 O\n0.994824 0.981839 0.746196 O\n0.499779 0.730794 0.001366 O\n0.005176 0.018161 0.253804 O\n0.500221 0.269206 0.998634 O\n0.503112 0.776531 0.496259 O\n0.997836 0.525807 0.743568 O\n",
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}