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{
"id": "mp-1100028",
"created_at": "2022-09-04T14:41:22.372575Z",
"structure_string": "La20 Sm12 Cr32 O80\n1.0\n0.051884 -0.017534 11.083660\n11.484338 0.007983 0.053052\n-5.757427 15.848170 -5.593469\nLa Sm Cr O\n20 12 32 80\ndirect\n0.310168 0.063085 0.617150 La\n0.310708 0.564277 0.617545 La\n0.808920 0.063603 0.618002 La\n0.810630 0.562171 0.617764 La\n0.192340 0.435489 0.382319 La\n0.186824 0.437299 0.881176 La\n0.192215 0.938209 0.381761 La\n0.691593 0.435310 0.380683 La\n0.694568 0.936681 0.381022 La\n0.058404 0.307144 0.119805 La\n0.061218 0.303073 0.617806 La\n0.059422 0.807416 0.619058 La\n0.559635 0.306010 0.620610 La\n0.441893 0.195310 0.380252 La\n0.441927 0.195425 0.882300 La\n0.443321 0.693758 0.381362 La\n0.440298 0.692906 0.881144 La\n0.941478 0.195590 0.380559 La\n0.939384 0.194276 0.881751 La\n0.943516 0.695325 0.382699 La\n0.303811 0.063348 0.114776 Sm\n0.306074 0.561319 0.112669 Sm\n0.802210 0.062321 0.114903 Sm\n0.803618 0.561926 0.114985 Sm\n0.189022 0.939244 0.885593 Sm\n0.692962 0.437473 0.885691 Sm\n0.687822 0.938327 0.883049 Sm\n0.056226 0.802679 0.114070 Sm\n0.555921 0.302863 0.116572 Sm\n0.553945 0.803164 0.114299 Sm\n0.556376 0.801694 0.614764 Sm\n0.940808 0.697765 0.885934 Sm\n0.003977 0.998683 0.999753 Cr\n0.003819 0.999605 0.499075 Cr\n0.005535 0.502915 0.001934 Cr\n0.004328 0.500484 0.500226 Cr\n0.505933 0.998449 0.000162 Cr\n0.505059 0.999332 0.499557 Cr\n0.508693 0.501516 0.002920 Cr\n0.505507 0.500538 0.500543 Cr\n0.256836 0.249561 0.000906 Cr\n0.254716 0.249408 0.498880 Cr\n0.255794 0.752382 0.001389 Cr\n0.255879 0.749901 0.499891 Cr\n0.755149 0.249906 0.001054 Cr\n0.753926 0.249834 0.499801 Cr\n0.757149 0.751038 0.001131 Cr\n0.753558 0.750164 0.500989 Cr\n0.118343 0.118210 0.247190 Cr\n0.121476 0.121125 0.751413 Cr\n0.120038 0.624770 0.248571 Cr\n0.117401 0.626151 0.752043 Cr\n0.618704 0.119749 0.247471 Cr\n0.620784 0.118261 0.750966 Cr\n0.619346 0.621871 0.248260 Cr\n0.626284 0.627124 0.752137 Cr\n0.371832 0.379770 0.248482 Cr\n0.374068 0.379236 0.751715 Cr\n0.370023 0.877505 0.247866 Cr\n0.372212 0.877197 0.751206 Cr\n0.868335 0.378500 0.247835 Cr\n0.869699 0.380199 0.751823 Cr\n0.870702 0.875734 0.246449 Cr\n0.868793 0.875436 0.751393 Cr\n0.118887 0.118070 0.478004 O\n0.114416 0.108386 0.975299 O\n0.119191 0.617116 0.480305 O\n0.114195 0.622990 0.977340 O\n0.617220 0.113957 0.476936 O\n0.616364 0.110804 0.975926 O\n0.616848 0.615692 0.479604 O\n0.621767 0.615886 0.977138 O\n0.142770 0.390436 0.027989 O\n0.139088 0.384633 0.521874 O\n0.141201 0.884972 0.027774 O\n0.139826 0.881759 0.521974 O\n0.642056 0.386324 0.031050 O\n0.639855 0.385743 0.524604 O\n0.642473 0.883503 0.029939 O\n0.637004 0.882077 0.525145 O\n0.367038 0.110184 0.476045 O\n0.363089 0.101209 0.972549 O\n0.368013 0.611653 0.476387 O\n0.367136 0.612366 0.978610 O\n0.865468 0.113548 0.476186 O\n0.860876 0.103014 0.972338 O\n0.866201 0.612485 0.477387 O\n0.865055 0.611586 0.972414 O\n0.395826 0.396503 0.028652 O\n0.389881 0.390230 0.520998 O\n0.390317 0.892364 0.027931 O\n0.391508 0.886219 0.521439 O\n0.887350 0.397888 0.025816 O\n0.887556 0.387109 0.520430 O\n0.891171 0.891258 0.028381 O\n0.884374 0.884162 0.520166 O\n0.086104 0.105151 0.124156 O\n0.074761 0.100323 0.625984 O\n0.084944 0.608978 0.126020 O\n0.072361 0.603376 0.626303 O\n0.585603 0.107333 0.124147 O\n0.575567 0.102609 0.624868 O\n0.587090 0.610356 0.126365 O\n0.573853 0.605646 0.626239 O\n0.451394 0.399238 0.375051 O\n0.463628 0.398965 0.877221 O\n0.446060 0.897655 0.372847 O\n0.464122 0.893155 0.875776 O\n0.947791 0.400163 0.374137 O\n0.952350 0.397011 0.876951 O\n0.943449 0.897914 0.371504 O\n0.955353 0.892250 0.874632 O\n0.338721 0.265974 0.125787 O\n0.326557 0.273621 0.625407 O\n0.333424 0.768724 0.125606 O\n0.336121 0.774437 0.625350 O\n0.830380 0.265218 0.124985 O\n0.825677 0.274350 0.625842 O\n0.837008 0.765978 0.124540 O\n0.823224 0.774537 0.626919 O\n0.198039 0.224627 0.372992 O\n0.201473 0.231214 0.875261 O\n0.194573 0.726236 0.373746 O\n0.202528 0.734289 0.876866 O\n0.695582 0.226171 0.373884 O\n0.701023 0.233293 0.875799 O\n0.693102 0.724737 0.373989 O\n0.708931 0.735703 0.876650 O\n0.414260 0.059554 0.244917 O\n0.421914 0.063142 0.750291 O\n0.415174 0.569152 0.244215 O\n0.431437 0.566034 0.749919 O\n0.913367 0.060525 0.245002 O\n0.920755 0.054934 0.750205 O\n0.916534 0.567974 0.245606 O\n0.918976 0.572471 0.755433 O\n0.172837 0.443553 0.250934 O\n0.173872 0.443272 0.750471 O\n0.166009 0.926914 0.245130 O\n0.169048 0.933826 0.755153 O\n0.666186 0.434725 0.245656 O\n0.672622 0.434599 0.755520 O\n0.667000 0.925824 0.244571 O\n0.666045 0.921104 0.749414 O\n",
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"elements": [
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"Sm",
"Cr",
"O"
],
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"density": 6.197284157854546,
"density_atomic": 0.07140617722142271,
"volume": 2016.632252325619,
"volume_molar": 8.433641169903273,
"formula_full": "La20 Sm12 Cr32 O80",
"formula_reduced": "La5Sm3Cr8O20",
"formula_anonymous": "A3B5C8D20",
"energy": -1269.4834113000002,
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"updated_at": "2021-11-28T01:35:18.818000Z",
"spacegroup": 1
},
{
"id": "mp-560469",
"created_at": "2022-09-04T14:45:08.601299Z",
"structure_string": "Ba12 Nb28 Si8 O94\n1.0\n4.590776 -7.951457 0.000000\n4.590776 7.951457 0.000000\n0.000000 0.000000 28.280563\nBa Nb Si O\n12 28 8 94\ndirect\n0.000000 0.583277 0.014573 Ba\n0.600102 0.000000 0.297398 Ba\n0.583277 0.583277 0.514573 Ba\n0.416723 0.416723 0.014573 Ba\n0.600102 0.600102 0.797398 Ba\n0.416723 0.000000 0.514573 Ba\n0.399898 0.000000 0.797398 Ba\n0.399898 0.399898 0.297398 Ba\n0.000000 0.399898 0.797398 Ba\n0.000000 0.416723 0.514573 Ba\n0.583277 0.000000 0.014573 Ba\n0.000000 0.600102 0.297398 Ba\n0.216521 0.000000 0.949285 Nb\n0.666667 0.333333 0.412094 Nb\n0.000000 0.763263 0.589593 Nb\n0.000000 0.783479 0.449285 Nb\n0.000000 0.254783 0.361785 Nb\n0.745217 0.745217 0.361785 Nb\n0.763263 0.763263 0.089593 Nb\n0.783479 0.783479 0.949285 Nb\n0.254783 0.254783 0.861785 Nb\n0.745217 0.000000 0.861785 Nb\n0.000000 0.236737 0.089593 Nb\n0.783479 0.000000 0.449285 Nb\n0.333333 0.666667 0.912094 Nb\n0.236737 0.000000 0.089593 Nb\n0.238078 0.000000 0.222343 Nb\n0.761922 0.761922 0.222343 Nb\n0.216521 0.216521 0.449285 Nb\n0.254783 0.000000 0.361785 Nb\n0.000000 0.745217 0.861785 Nb\n0.000000 0.238078 0.222343 Nb\n0.666667 0.333333 0.912094 Nb\n0.000000 0.216521 0.949285 Nb\n0.761922 0.000000 0.722343 Nb\n0.000000 0.761922 0.722343 Nb\n0.238078 0.238078 0.722343 Nb\n0.763263 0.000000 0.589593 Nb\n0.236737 0.236737 0.589593 Nb\n0.333333 0.666667 0.412094 Nb\n0.666667 0.333333 0.214482 Si\n0.666667 0.333333 0.598917 Si\n0.666667 0.333333 0.714482 Si\n0.333333 0.666667 0.098917 Si\n0.666667 0.333333 0.098917 Si\n0.333333 0.666667 0.598917 Si\n0.333333 0.666667 0.714482 Si\n0.333333 0.666667 0.214482 Si\n0.000000 0.281847 0.156379 O\n0.811684 0.811684 0.875154 O\n0.693479 0.510756 0.236845 O\n0.822984 0.822984 0.720583 O\n0.000000 0.188316 0.875154 O\n0.000000 0.176282 0.592106 O\n0.000000 0.823718 0.092106 O\n0.521885 0.833250 0.448135 O\n0.000000 0.811684 0.375154 O\n0.176282 0.000000 0.592106 O\n0.188316 0.188316 0.375154 O\n0.824739 0.310037 0.361450 O\n0.510756 0.817277 0.736845 O\n0.816015 0.511031 0.576330 O\n0.695017 0.183985 0.576330 O\n0.311365 0.478115 0.448135 O\n0.000000 0.231872 0.439948 O\n0.177016 0.177016 0.220583 O\n0.511031 0.816015 0.576330 O\n0.817277 0.306521 0.236845 O\n0.822984 0.000000 0.220583 O\n0.478115 0.311365 0.448135 O\n0.666667 0.333333 0.656684 O\n0.216904 0.000000 0.016070 O\n0.304983 0.488969 0.576330 O\n0.811684 0.000000 0.375154 O\n0.689963 0.175261 0.861450 O\n0.666667 0.333333 0.156684 O\n0.689963 0.514702 0.361450 O\n0.000000 0.768128 0.939948 O\n0.695017 0.511031 0.076330 O\n0.514702 0.824739 0.861450 O\n0.281847 0.000000 0.156379 O\n0.310037 0.824739 0.361450 O\n0.304983 0.816015 0.076330 O\n0.489244 0.182723 0.236845 O\n0.514702 0.689963 0.361450 O\n0.510756 0.693479 0.236845 O\n0.306521 0.489244 0.736845 O\n0.166750 0.478115 0.948135 O\n0.306521 0.817277 0.236845 O\n0.183985 0.488969 0.076330 O\n0.833250 0.311365 0.948135 O\n0.478115 0.166750 0.948135 O\n0.000000 0.216904 0.016070 O\n0.768128 0.000000 0.939948 O\n0.000000 0.718153 0.656379 O\n0.782226 0.000000 0.796406 O\n0.177016 0.000000 0.720583 O\n0.231872 0.000000 0.439948 O\n0.823718 0.000000 0.092106 O\n0.176282 0.176282 0.092106 O\n0.333333 0.666667 0.656684 O\n0.511031 0.695017 0.076330 O\n0.333333 0.666667 0.156684 O\n0.166750 0.688635 0.448135 O\n0.718153 0.000000 0.656379 O\n0.000000 0.783096 0.516070 O\n0.688635 0.521885 0.948135 O\n0.310037 0.485298 0.861450 O\n0.175261 0.689963 0.861450 O\n0.281847 0.281847 0.656379 O\n0.000000 0.217774 0.296406 O\n0.182723 0.489244 0.236845 O\n0.216904 0.216904 0.516070 O\n0.000000 0.822984 0.220583 O\n0.816015 0.304983 0.076330 O\n0.718153 0.718153 0.156379 O\n0.783096 0.000000 0.516070 O\n0.823718 0.823718 0.592106 O\n0.783096 0.783096 0.016070 O\n0.488969 0.304983 0.576330 O\n0.217774 0.217774 0.796406 O\n0.311365 0.833250 0.948135 O\n0.824739 0.514702 0.861450 O\n0.183985 0.695017 0.576330 O\n0.485298 0.175261 0.361450 O\n0.833250 0.521885 0.448135 O\n0.817277 0.510756 0.736845 O\n0.000000 0.782226 0.796406 O\n0.485298 0.310037 0.861450 O\n0.182723 0.693479 0.736845 O\n0.175261 0.485298 0.361450 O\n0.188316 0.000000 0.875154 O\n0.521885 0.688635 0.948135 O\n0.000000 0.177016 0.720583 O\n0.768128 0.768128 0.439948 O\n0.231872 0.231872 0.939948 O\n0.693479 0.182723 0.736845 O\n0.688635 0.166750 0.448135 O\n0.489244 0.306521 0.736845 O\n0.488969 0.183985 0.076330 O\n0.217774 0.000000 0.296406 O\n0.782226 0.782226 0.296406 O\n",
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"formula_full": "Ba12 Nb28 Si8 O94",
"formula_reduced": "Ba6Nb14Si4O47",
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"spacegroup": 185
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{
"id": "mp-1099865",
"created_at": "2022-09-04T14:41:50.178615Z",
"structure_string": "La28 Sm4 Mn32 O80\n1.0\n0.000546 -0.007370 11.518861\n11.868387 0.004012 0.000512\n-5.928676 15.703989 -5.769860\nLa Sm Mn O\n28 4 32 80\ndirect\n0.295635 0.064366 0.112673 La\n0.297517 0.063995 0.610912 La\n0.297473 0.564709 0.611457 La\n0.797271 0.064817 0.611477 La\n0.797962 0.564777 0.111117 La\n0.797513 0.564484 0.611764 La\n0.185632 0.433976 0.387824 La\n0.185801 0.435928 0.889573 La\n0.184348 0.934947 0.386642 La\n0.186498 0.936663 0.888681 La\n0.685547 0.435520 0.388104 La\n0.685318 0.935013 0.388055 La\n0.685036 0.936191 0.888653 La\n0.046076 0.296992 0.111638 La\n0.047174 0.297523 0.611609 La\n0.047070 0.796640 0.611195 La\n0.547194 0.295918 0.111281 La\n0.547776 0.298395 0.613400 La\n0.545337 0.797610 0.112400 La\n0.547522 0.796044 0.611069 La\n0.435808 0.203130 0.388352 La\n0.438437 0.204213 0.888646 La\n0.434046 0.702177 0.386438 La\n0.435502 0.702066 0.888841 La\n0.933946 0.201605 0.386460 La\n0.933741 0.203535 0.888748 La\n0.935068 0.702983 0.387464 La\n0.935673 0.701971 0.889185 La\n0.292720 0.566114 0.110694 Sm\n0.795196 0.065106 0.110394 Sm\n0.684303 0.434793 0.890284 Sm\n0.046728 0.796249 0.111738 Sm\n0.000934 0.999048 0.001508 Mn\n0.001017 0.000140 0.499543 Mn\n0.000583 0.500868 0.000676 Mn\n0.000979 0.499621 0.499508 Mn\n0.501601 0.000079 0.000872 Mn\n0.500630 0.999797 0.499487 Mn\n0.501252 0.501447 0.001411 Mn\n0.500960 0.499795 0.499740 Mn\n0.251811 0.251774 0.001412 Mn\n0.250472 0.249355 0.499300 Mn\n0.250166 0.750691 0.001037 Mn\n0.250925 0.749748 0.499473 Mn\n0.750948 0.249725 0.000655 Mn\n0.750878 0.250040 0.500079 Mn\n0.752427 0.750894 0.001196 Mn\n0.750605 0.749773 0.499428 Mn\n0.102568 0.097238 0.247078 Mn\n0.108045 0.100918 0.750842 Mn\n0.107929 0.600151 0.248456 Mn\n0.107389 0.599389 0.750553 Mn\n0.608205 0.098883 0.249006 Mn\n0.607785 0.101033 0.750456 Mn\n0.603637 0.599009 0.247515 Mn\n0.608497 0.599468 0.752475 Mn\n0.356079 0.401066 0.247943 Mn\n0.359084 0.400554 0.750748 Mn\n0.353939 0.897775 0.248057 Mn\n0.357622 0.900766 0.750442 Mn\n0.856483 0.399072 0.248953 Mn\n0.855848 0.400343 0.751968 Mn\n0.857004 0.899572 0.246739 Mn\n0.857908 0.900676 0.750915 Mn\n0.108771 0.116088 0.472174 O\n0.108578 0.117504 0.973526 O\n0.108842 0.616783 0.472808 O\n0.109622 0.617865 0.975709 O\n0.609008 0.116051 0.472317 O\n0.609226 0.116329 0.973436 O\n0.609184 0.617158 0.473798 O\n0.610239 0.614915 0.971776 O\n0.138299 0.386773 0.029786 O\n0.136522 0.383545 0.526844 O\n0.133932 0.881292 0.031684 O\n0.135771 0.883157 0.525351 O\n0.633542 0.381541 0.024552 O\n0.635753 0.383124 0.526510 O\n0.639076 0.886024 0.029305 O\n0.636522 0.883944 0.526438 O\n0.358698 0.105952 0.472723 O\n0.360600 0.108400 0.974074 O\n0.359381 0.606604 0.473335 O\n0.359233 0.607414 0.973794 O\n0.859636 0.107259 0.473765 O\n0.858423 0.105040 0.975034 O\n0.859389 0.606778 0.473136 O\n0.854805 0.602078 0.969794 O\n0.384716 0.400325 0.031127 O\n0.385487 0.391641 0.524845 O\n0.384371 0.894303 0.026702 O\n0.386823 0.892858 0.526961 O\n0.884271 0.392932 0.025152 O\n0.886074 0.393204 0.526541 O\n0.888552 0.897231 0.033878 O\n0.885571 0.892190 0.524912 O\n0.110428 0.125532 0.142216 O\n0.105941 0.122608 0.641335 O\n0.112486 0.625813 0.141598 O\n0.105889 0.622588 0.641650 O\n0.614852 0.122889 0.142280 O\n0.605816 0.123218 0.641179 O\n0.613256 0.624462 0.141781 O\n0.606521 0.621114 0.642703 O\n0.463783 0.378060 0.357343 O\n0.472331 0.377967 0.858105 O\n0.461687 0.877219 0.357993 O\n0.464508 0.877234 0.859356 O\n0.964132 0.376835 0.358308 O\n0.969115 0.376704 0.859063 O\n0.964045 0.877645 0.356719 O\n0.965904 0.877746 0.860089 O\n0.359920 0.266766 0.142121 O\n0.357084 0.268947 0.641438 O\n0.360087 0.765446 0.141772 O\n0.356020 0.769149 0.641577 O\n0.855701 0.266409 0.140638 O\n0.854135 0.269932 0.642176 O\n0.867536 0.766254 0.142338 O\n0.856398 0.769213 0.641773 O\n0.211785 0.228009 0.356697 O\n0.218733 0.232248 0.859155 O\n0.214995 0.731481 0.358143 O\n0.213973 0.731743 0.859388 O\n0.714467 0.231170 0.358162 O\n0.715324 0.233425 0.859281 O\n0.711608 0.729865 0.357279 O\n0.716619 0.733702 0.859809 O\n0.425464 0.065181 0.250091 O\n0.424806 0.067826 0.750186 O\n0.417510 0.568253 0.244273 O\n0.424037 0.568057 0.750005 O\n0.917307 0.068144 0.244570 O\n0.924670 0.068061 0.750553 O\n0.925844 0.566205 0.249634 O\n0.923939 0.566500 0.750574 O\n0.174056 0.432774 0.249923 O\n0.175878 0.432677 0.750415 O\n0.167892 0.927809 0.244568 O\n0.174388 0.932938 0.750238 O\n0.673450 0.433197 0.249542 O\n0.673753 0.432215 0.756140 O\n0.675449 0.931986 0.250044 O\n0.674484 0.933326 0.749754 O\n",
"nsites": 144,
"nelements": 4,
"elements": [
"La",
"Sm",
"Mn",
"O"
],
"chemical_system": "La-Mn-O-Sm",
"density": 5.823822790859657,
"density_atomic": 0.06708075519974703,
"volume": 2146.6663511943148,
"volume_molar": 8.97744925808872,
"formula_full": "La28 Sm4 Mn32 O80",
"formula_reduced": "La7SmMn8O20",
"formula_anonymous": "AB7C8D20",
"energy": -1267.79200261,
"energy_per_atom": -8.804111129236112,
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"formation_energy": null,
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"band_gap": 0.0363999999999995,
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"total_magnetization": 159.0160936,
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"updated_at": "2021-11-28T01:35:35.909000Z",
"spacegroup": 1
},
{
"id": "mp-1201733",
"created_at": "2022-09-04T14:40:20.016178Z",
"structure_string": "Nd12 H80 N16 O98\n1.0\n12.450410 0.000000 0.000000\n0.000000 10.652430 0.000000\n-10.572281 0.000000 16.306452\nNd H N O\n12 80 16 98\ndirect\n0.881988 0.120716 0.860182 Nd\n0.881988 0.379284 0.360182 Nd\n0.118012 0.879284 0.139818 Nd\n0.118012 0.620716 0.639818 Nd\n0.767593 0.957866 0.982392 Nd\n0.767593 0.542134 0.482392 Nd\n0.232407 0.042134 0.017608 Nd\n0.232407 0.457866 0.517608 Nd\n0.975813 0.797669 0.925418 Nd\n0.975813 0.702331 0.425418 Nd\n0.024187 0.202331 0.074582 Nd\n0.024187 0.297669 0.574582 Nd\n0.108011 0.299081 0.964585 H\n0.108011 0.200919 0.464585 H\n0.891989 0.700919 0.035415 H\n0.891989 0.799081 0.535415 H\n0.704467 0.893891 0.811076 H\n0.704467 0.606109 0.311076 H\n0.295533 0.106109 0.188924 H\n0.295533 0.393891 0.688924 H\n0.060725 0.965612 0.837590 H\n0.060725 0.534388 0.337590 H\n0.939275 0.034388 0.162410 H\n0.939275 0.465612 0.662410 H\n0.744278 0.228863 0.932928 H\n0.744278 0.271137 0.432928 H\n0.255722 0.771137 0.067072 H\n0.255722 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O\n0.311627 0.616068 0.454960 O\n0.804660 0.609867 0.879054 O\n0.804660 0.890133 0.379054 O\n0.195340 0.390133 0.120946 O\n0.195340 0.109867 0.620946 O\n0.878405 0.744827 0.772910 O\n0.878405 0.755173 0.272910 O\n0.121595 0.255173 0.227090 O\n0.121595 0.244827 0.727090 O\n0.486296 0.652936 0.951393 O\n0.486296 0.847064 0.451393 O\n0.513704 0.347064 0.048607 O\n0.513704 0.152936 0.548607 O\n",
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"elements": [
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"formula_full": "Nd12 H80 N16 O98",
"formula_reduced": "Nd6H40N8O49",
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"updated_at": "2021-11-28T01:34:54.954000Z",
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},
{
"id": "mp-1076766",
"created_at": "2022-09-04T14:42:03.820446Z",
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"updated_at": "2021-11-28T01:35:31.009000Z",
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},
{
"id": "mp-1202080",
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{
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{
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{
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{
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"created_at": "2022-09-04T14:41:07.095013Z",
"structure_string": "La24 Sm8 V16 Cr16 O80\n1.0\n0.005668 -0.010026 10.962885\n11.231468 -0.007949 0.005699\n-5.630734 16.100963 -5.498346\nLa Sm V Cr O\n24 8 16 16 80\ndirect\n0.312967 0.059139 0.622114 La\n0.310392 0.559627 0.622574 La\n0.810716 0.060048 0.622748 La\n0.813581 0.559911 0.624451 La\n0.189917 0.439226 0.378007 La\n0.182891 0.443039 0.876240 La\n0.187757 0.939668 0.375685 La\n0.689676 0.440589 0.378119 La\n0.689789 0.939789 0.378166 La\n0.686626 0.941489 0.876673 La\n0.058743 0.317064 0.124775 La\n0.061541 0.311615 0.621439 La\n0.060610 0.816364 0.624741 La\n0.559693 0.314889 0.124204 La\n0.560259 0.315937 0.624387 La\n0.556586 0.817071 0.124352 La\n0.561494 0.812618 0.622412 La\n0.438270 0.185872 0.375955 La\n0.436300 0.185436 0.876392 La\n0.435879 0.684080 0.374700 La\n0.435027 0.683287 0.876294 La\n0.935673 0.184506 0.375016 La\n0.936895 0.183167 0.875798 La\n0.937223 0.684719 0.374890 La\n0.301115 0.058242 0.122889 Sm\n0.303532 0.558036 0.121610 Sm\n0.803658 0.057822 0.120987 Sm\n0.804009 0.559161 0.122399 Sm\n0.188997 0.941098 0.879519 Sm\n0.689072 0.441256 0.879927 Sm\n0.056855 0.813587 0.122388 Sm\n0.934288 0.686037 0.877831 Sm\n0.114273 0.132493 0.247927 V\n0.119473 0.133367 0.751292 V\n0.116255 0.634641 0.248144 V\n0.117024 0.636462 0.751443 V\n0.614806 0.133580 0.248915 V\n0.618822 0.135099 0.750905 V\n0.615777 0.634046 0.248621 V\n0.619546 0.633409 0.751830 V\n0.367714 0.365630 0.248402 V\n0.368236 0.366703 0.750765 V\n0.364954 0.864468 0.248161 V\n0.367065 0.865478 0.750936 V\n0.867284 0.365776 0.248679 V\n0.866333 0.366628 0.751593 V\n0.866996 0.865584 0.247647 V\n0.870421 0.865345 0.751553 V\n0.003433 0.999326 0.001255 Cr\n0.001834 0.999536 0.499749 Cr\n0.001175 0.501646 0.000346 Cr\n0.001206 0.500517 0.499608 Cr\n0.501506 0.000249 0.000832 Cr\n0.501055 0.999880 0.499393 Cr\n0.503336 0.500838 0.000751 Cr\n0.502065 0.500185 0.500120 Cr\n0.251914 0.249598 0.000450 Cr\n0.250966 0.249137 0.499113 Cr\n0.250607 0.751239 0.001077 Cr\n0.250868 0.749853 0.499670 Cr\n0.752509 0.251039 0.001034 Cr\n0.751151 0.250610 0.500307 Cr\n0.754383 0.749434 0.000398 Cr\n0.751326 0.749872 0.499774 Cr\n0.112620 0.112600 0.473613 O\n0.114354 0.107606 0.970074 O\n0.112932 0.611965 0.472960 O\n0.107336 0.614535 0.968975 O\n0.612838 0.112838 0.473717 O\n0.612333 0.112418 0.972193 O\n0.612762 0.613670 0.474285 O\n0.615321 0.609697 0.970498 O\n0.140409 0.388603 0.028936 O\n0.138753 0.387156 0.525300 O\n0.139938 0.887063 0.032982 O\n0.139062 0.886879 0.526286 O\n0.641267 0.388315 0.029626 O\n0.639635 0.388097 0.526952 O\n0.640661 0.886372 0.028110 O\n0.639537 0.887835 0.526124 O\n0.362386 0.110281 0.472771 O\n0.360893 0.108124 0.971050 O\n0.363697 0.611651 0.474030 O\n0.363030 0.611266 0.973597 O\n0.864315 0.112556 0.474875 O\n0.863906 0.110229 0.973182 O\n0.863451 0.611956 0.473102 O\n0.861389 0.608120 0.968633 O\n0.389261 0.395142 0.030951 O\n0.388283 0.388204 0.524372 O\n0.386728 0.897289 0.031814 O\n0.389067 0.888171 0.525250 O\n0.888025 0.397899 0.031971 O\n0.888416 0.389829 0.525525 O\n0.892241 0.894654 0.033245 O\n0.888322 0.889042 0.525268 O\n0.078677 0.106904 0.122254 O\n0.067403 0.101445 0.622894 O\n0.079117 0.608739 0.121515 O\n0.064425 0.604055 0.622615 O\n0.580465 0.103257 0.122507 O\n0.564487 0.103846 0.622310 O\n0.580877 0.606097 0.122404 O\n0.566645 0.601714 0.623299 O\n0.444000 0.397760 0.377003 O\n0.453007 0.396843 0.878237 O\n0.442568 0.896382 0.376571 O\n0.444208 0.894141 0.878775 O\n0.942930 0.396684 0.376890 O\n0.943412 0.393212 0.878906 O\n0.942486 0.897402 0.376484 O\n0.952575 0.891292 0.879228 O\n0.318368 0.261444 0.121504 O\n0.316542 0.270200 0.622082 O\n0.318200 0.760987 0.121538 O\n0.316690 0.770169 0.622484 O\n0.818612 0.262066 0.121900 O\n0.817491 0.271761 0.623183 O\n0.828147 0.761451 0.121470 O\n0.816864 0.769520 0.622534 O\n0.192456 0.227332 0.376288 O\n0.196247 0.235092 0.878645 O\n0.191956 0.729964 0.376936 O\n0.198359 0.737157 0.879359 O\n0.692283 0.229464 0.377384 O\n0.697739 0.235986 0.879010 O\n0.692082 0.729006 0.377068 O\n0.706599 0.734323 0.878475 O\n0.443321 0.037171 0.244101 O\n0.451318 0.037380 0.750222 O\n0.444719 0.537386 0.243035 O\n0.449933 0.538272 0.748860 O\n0.942549 0.039074 0.243733 O\n0.951205 0.036469 0.748452 O\n0.945312 0.537361 0.243318 O\n0.950567 0.543147 0.756248 O\n0.201663 0.463477 0.251521 O\n0.200176 0.462782 0.749688 O\n0.193383 0.956310 0.244923 O\n0.201766 0.961899 0.756640 O\n0.700792 0.462805 0.251244 O\n0.699189 0.460351 0.755964 O\n0.699829 0.961979 0.251165 O\n0.702850 0.962326 0.750498 O\n",
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"elements": [
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],
"chemical_system": "Cr-La-O-Sm-V",
"density": 6.254971822751946,
"density_atomic": 0.07267623822468496,
"volume": 1981.3903900035577,
"volume_molar": 8.286258214661613,
"formula_full": "La24 Sm8 V16 Cr16 O80",
"formula_reduced": "La3SmV2Cr2O10",
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"updated_at": "2021-11-28T01:35:13.498000Z",
"spacegroup": 1
},
{
"id": "mp-1198885",
"created_at": "2022-09-04T14:47:08.591480Z",
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"nsites": 240,
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"elements": [
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"H",
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],
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"formula_full": "Sb16 P8 H24 C32 F160",
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"updated_at": "2021-11-28T01:37:55.675000Z",
"spacegroup": 61
}
]
}