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{
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{
"id": "mp-2806",
"created_at": "2022-09-04T14:46:58.834411Z",
"structure_string": "Yb1 Sn1\n1.0\n3.475707 0.000000 0.000000\n0.000000 3.475707 0.000000\n0.000000 0.000000 4.511120\nYb Sn\n1 1\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Sn\n",
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{
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},
{
"id": "mp-1226732",
"created_at": "2022-09-04T14:46:58.838057Z",
"structure_string": "Ce2 Te1 Se1\n1.0\n4.338500 0.000000 0.000000\n0.000000 4.338500 0.000000\n0.000000 0.000000 6.133619\nCe Te Se\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Ce\n0.500000 0.500000 0.000000 Te\n0.000000 0.000000 0.500000 Se\n",
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{
"id": "mp-758896",
"created_at": "2022-09-04T14:46:58.840314Z",
"structure_string": "Li8 Ti4 V6 O20\n1.0\n6.726278 0.000000 0.000000\n-0.120110 7.844200 0.000000\n-3.298787 -0.877847 7.177457\nLi Ti V O\n8 4 6 20\ndirect\n0.095687 0.703603 0.778428 Li\n0.811300 0.594134 0.406168 Li\n0.249863 0.756199 0.490148 Li\n0.750137 0.243801 0.509852 Li\n0.188700 0.405866 0.593832 Li\n0.904313 0.296397 0.221572 Li\n0.320842 0.085464 0.404289 Li\n0.679158 0.914536 0.595711 Li\n0.348429 0.460443 0.309263 Ti\n0.651571 0.539557 0.690737 Ti\n0.834289 0.941124 0.312786 Ti\n0.165711 0.058876 0.687214 Ti\n0.971093 0.652017 0.099870 V\n0.028907 0.347983 0.900130 V\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.000000 V\n0.460440 0.144298 0.096551 V\n0.539560 0.855702 0.903449 V\n0.765404 0.440969 0.940586 O\n0.907073 0.479499 0.660253 O\n0.092927 0.520501 0.339747 O\n0.397928 0.617411 0.764260 O\n0.234596 0.559031 0.059414 O\n0.528841 0.653745 0.467249 O\n0.907490 0.112481 0.761575 O\n0.694985 0.721337 0.147875 O\n0.305015 0.278663 0.852125 O\n0.027401 0.159164 0.462121 O\n0.471159 0.346255 0.532751 O\n0.185368 0.223478 0.146320 O\n0.814632 0.776522 0.853680 O\n0.602072 0.382589 0.235740 O\n0.972599 0.840836 0.537879 O\n0.259814 0.934539 0.926366 O\n0.092510 0.887519 0.238425 O\n0.404733 0.971425 0.655760 O\n0.595267 0.028575 0.344240 O\n0.740186 0.065461 0.073634 O\n",
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"formula_full": "Li8 Ti4 V6 O20",
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"spacegroup": 2
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{
"id": "mp-554796",
"created_at": "2022-09-04T14:46:58.848022Z",
"structure_string": "Ba8 Sc24 Ag8 S48\n1.0\n11.021602 0.000000 0.000000\n0.000000 11.232210 0.000000\n0.000000 0.000000 16.327387\nBa Sc Ag S\n8 24 8 48\ndirect\n0.734184 0.944260 0.796339 Ba\n0.765816 0.555740 0.296339 Ba\n0.765816 0.944260 0.296339 Ba\n0.234184 0.444260 0.703661 Ba\n0.734184 0.555740 0.796339 Ba\n0.265816 0.444260 0.203661 Ba\n0.265816 0.055740 0.203661 Ba\n0.234184 0.055740 0.703661 Ba\n0.921715 0.085616 0.586262 Sc\n0.860572 0.250000 0.024938 Sc\n0.578285 0.085616 0.086262 Sc\n0.078285 0.914384 0.413738 Sc\n0.141105 0.416715 0.965755 Sc\n0.078285 0.585616 0.413738 Sc\n0.358895 0.416715 0.465755 Sc\n0.578285 0.414384 0.086262 Sc\n0.639428 0.250000 0.524938 Sc\n0.641105 0.916715 0.534245 Sc\n0.858895 0.916715 0.034245 Sc\n0.360572 0.750000 0.475062 Sc\n0.930124 0.750000 0.593146 Sc\n0.421715 0.585616 0.913738 Sc\n0.139428 0.750000 0.975062 Sc\n0.069876 0.250000 0.406854 Sc\n0.858895 0.583285 0.034245 Sc\n0.430124 0.250000 0.906854 Sc\n0.921715 0.414384 0.586262 Sc\n0.569876 0.750000 0.093146 Sc\n0.141105 0.083285 0.965755 Sc\n0.641105 0.583285 0.534245 Sc\n0.358895 0.083285 0.465755 Sc\n0.421715 0.914384 0.913738 Sc\n0.956816 0.250000 0.211742 Ag\n0.049209 0.750000 0.176817 Ag\n0.950792 0.250000 0.823183 Ag\n0.450792 0.750000 0.676817 Ag\n0.043184 0.750000 0.788258 Ag\n0.456816 0.750000 0.288258 Ag\n0.549208 0.250000 0.323183 Ag\n0.543184 0.250000 0.711742 Ag\n0.364873 0.083747 0.014478 S\n0.590759 0.750000 0.427346 S\n0.135127 0.416253 0.514478 S\n0.296459 0.250000 0.362912 S\n0.409241 0.250000 0.572654 S\n0.203541 0.250000 0.862912 S\n0.020904 0.078091 0.310627 S\n0.085762 0.578654 0.075322 S\n0.363444 0.750000 0.019136 S\n0.801087 0.411814 0.131076 S\n0.914238 0.078654 0.924678 S\n0.635127 0.916253 0.985522 S\n0.636556 0.250000 0.980864 S\n0.414238 0.921346 0.575322 S\n0.510092 0.750000 0.821117 S\n0.085762 0.921346 0.075322 S\n0.979096 0.921909 0.689373 S\n0.864873 0.916253 0.485522 S\n0.989908 0.750000 0.321117 S\n0.198913 0.588186 0.868924 S\n0.479096 0.078091 0.810627 S\n0.479096 0.421909 0.810627 S\n0.301087 0.588186 0.368924 S\n0.863444 0.250000 0.480864 S\n0.489908 0.250000 0.178883 S\n0.135127 0.083747 0.514478 S\n0.635127 0.583747 0.985522 S\n0.801087 0.088186 0.131076 S\n0.585762 0.421346 0.424678 S\n0.864873 0.583747 0.485522 S\n0.136556 0.750000 0.519136 S\n0.698913 0.411814 0.631076 S\n0.010092 0.250000 0.678883 S\n0.909241 0.750000 0.927346 S\n0.520904 0.921909 0.189373 S\n0.585762 0.078654 0.424678 S\n0.364873 0.416253 0.014478 S\n0.090759 0.250000 0.072654 S\n0.796459 0.750000 0.137088 S\n0.301087 0.911814 0.368924 S\n0.198913 0.911814 0.868924 S\n0.520904 0.578091 0.189373 S\n0.979096 0.578091 0.689373 S\n0.914238 0.421346 0.924678 S\n0.414238 0.578654 0.575322 S\n0.703541 0.750000 0.637088 S\n0.020904 0.421909 0.310627 S\n0.698913 0.088186 0.631076 S\n",
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{
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"structure_string": "Cd8 N16 O48\n1.0\n7.753993 0.000000 0.000000\n0.000000 7.761983 0.000000\n0.000000 0.000000 15.901289\nCd N O\n8 16 48\ndirect\n0.283342 0.981868 0.621649 Cd\n0.783342 0.018132 0.378351 Cd\n0.783342 0.518132 0.621649 Cd\n0.283342 0.481868 0.378351 Cd\n0.263206 0.476883 0.874853 Cd\n0.763206 0.523117 0.125147 Cd\n0.763206 0.023117 0.874853 Cd\n0.263206 0.976883 0.125147 Cd\n0.629230 0.341025 0.294013 N\n0.920408 0.673239 0.952894 N\n0.420408 0.326761 0.047106 N\n0.420408 0.826761 0.952894 N\n0.920408 0.173239 0.047106 N\n0.594598 0.362449 0.787129 N\n0.094598 0.637551 0.212871 N\n0.094598 0.137551 0.787129 N\n0.594598 0.862449 0.212871 N\n0.129230 0.658975 0.705987 N\n0.129230 0.158975 0.294013 N\n0.629230 0.841025 0.705987 N\n0.935581 0.668772 0.448028 N\n0.435581 0.331228 0.551972 N\n0.435581 0.831228 0.448028 N\n0.935581 0.168772 0.551972 N\n0.227628 0.654895 0.257917 O\n0.053717 0.674685 0.635647 O\n0.053717 0.174685 0.364353 O\n0.553717 0.825315 0.635647 O\n0.589329 0.463552 0.245284 O\n0.089329 0.536448 0.754716 O\n0.089329 0.036448 0.245284 O\n0.589329 0.963552 0.754716 O\n0.744080 0.733194 0.726847 O\n0.244080 0.266806 0.273153 O\n0.244080 0.766806 0.726847 O\n0.744080 0.233194 0.273153 O\n0.810783 0.191768 0.501696 O\n0.310783 0.808232 0.498304 O\n0.310783 0.308232 0.501696 O\n0.810783 0.691768 0.498304 O\n0.967580 0.279958 0.608082 O\n0.467580 0.720042 0.391918 O\n0.467580 0.220042 0.608082 O\n0.967580 0.779958 0.391918 O\n0.027400 0.034244 0.546060 O\n0.527400 0.965756 0.453940 O\n0.527400 0.465756 0.546060 O\n0.027400 0.534244 0.453940 O\n0.943427 0.781344 0.894185 O\n0.017034 0.042898 0.040698 O\n0.517034 0.957102 0.959302 O\n0.517034 0.457102 0.040698 O\n0.727628 0.845105 0.257917 O\n0.227628 0.154895 0.742083 O\n0.553717 0.325315 0.364353 O\n0.727628 0.345105 0.742083 O\n0.578910 0.775022 0.145693 O\n0.078910 0.224978 0.854307 O\n0.078910 0.724978 0.145693 O\n0.578910 0.275022 0.854307 O\n0.475903 0.966443 0.233448 O\n0.975903 0.033557 0.766552 O\n0.799242 0.696475 0.005343 O\n0.475903 0.466443 0.766552 O\n0.017034 0.542898 0.959302 O\n0.943427 0.281344 0.105815 O\n0.443427 0.718656 0.894185 O\n0.443427 0.218656 0.105815 O\n0.799242 0.196475 0.994657 O\n0.299242 0.803525 0.005343 O\n0.299242 0.303525 0.994657 O\n0.975903 0.533557 0.233448 O\n",
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{
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"structure_string": "Ce16 Mg8 Ni16\n1.0\n7.569322 0.000000 0.000000\n0.000000 10.421412 0.000000\n0.000000 0.501206 10.412134\nCe Mg Ni\n16 8 16\ndirect\n0.665890 0.168159 0.672255 Ce\n0.165890 0.831841 0.827745 Ce\n0.334110 0.831841 0.327745 Ce\n0.834110 0.168159 0.172255 Ce\n0.670978 0.415906 0.417899 Ce\n0.170978 0.584094 0.082101 Ce\n0.329022 0.584094 0.582101 Ce\n0.829022 0.415906 0.917899 Ce\n0.168649 0.084961 0.586860 Ce\n0.668649 0.915039 0.913140 Ce\n0.831351 0.915039 0.413140 Ce\n0.331351 0.084961 0.086860 Ce\n0.332740 0.332764 0.836551 Ce\n0.832740 0.667236 0.663449 Ce\n0.667260 0.667236 0.163449 Ce\n0.167260 0.332764 0.336551 Ce\n0.500617 0.122941 0.379434 Mg\n0.000617 0.877059 0.120566 Mg\n0.499383 0.877059 0.620566 Mg\n0.999383 0.122941 0.879434 Mg\n0.500493 0.374114 0.128761 Mg\n0.000493 0.625886 0.371239 Mg\n0.499507 0.625886 0.871239 Mg\n0.999507 0.374114 0.628761 Mg\n0.872460 0.188572 0.449723 Ni\n0.372460 0.811428 0.050277 Ni\n0.127540 0.811428 0.550277 Ni\n0.627540 0.188572 0.949723 Ni\n0.625904 0.687037 0.438671 Ni\n0.125904 0.312963 0.061329 Ni\n0.374096 0.312963 0.561329 Ni\n0.874096 0.687037 0.938671 Ni\n0.630408 0.942395 0.184797 Ni\n0.130408 0.057605 0.315203 Ni\n0.369592 0.057605 0.815203 Ni\n0.869592 0.942395 0.684797 Ni\n0.870276 0.443380 0.189467 Ni\n0.370276 0.556620 0.310533 Ni\n0.129724 0.556620 0.810533 Ni\n0.629724 0.443380 0.689467 Ni\n",
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{
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{
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"created_at": "2022-09-04T14:46:56.358004Z",
"structure_string": "Zn8 Co8 Bi16 O56\n1.0\n15.260101 0.000000 0.000000\n0.000000 7.112458 0.000000\n0.000000 2.488132 11.323867\nZn Co Bi O\n8 8 16 56\ndirect\n0.484386 0.938936 0.867794 Zn\n0.895447 0.797394 0.878737 Zn\n0.395447 0.202606 0.621263 Zn\n0.104553 0.202606 0.121263 Zn\n0.604553 0.797394 0.378737 Zn\n0.015614 0.938936 0.367794 Zn\n0.515614 0.061064 0.132206 Zn\n0.984386 0.061064 0.632206 Zn\n0.673419 0.343919 0.088101 Co\n0.173419 0.656081 0.411899 Co\n0.326581 0.656081 0.911899 Co\n0.826581 0.343919 0.588101 Co\n0.746623 0.004254 0.255666 Co\n0.246623 0.995746 0.244334 Co\n0.253377 0.995746 0.744334 Co\n0.753377 0.004254 0.755666 Co\n0.900409 0.123651 0.033812 Bi\n0.995634 0.588410 0.658518 Bi\n0.504366 0.588410 0.158518 Bi\n0.004366 0.411590 0.341482 Bi\n0.714482 0.474987 0.807927 Bi\n0.214482 0.525013 0.692073 Bi\n0.285518 0.525013 0.192073 Bi\n0.785518 0.474987 0.307927 Bi\n0.495634 0.411590 0.841482 Bi\n0.200376 0.127344 0.487654 Bi\n0.700376 0.872656 0.012346 Bi\n0.799624 0.872656 0.512346 Bi\n0.400409 0.876349 0.466188 Bi\n0.599591 0.123651 0.533812 Bi\n0.099591 0.876349 0.966188 Bi\n0.299624 0.127344 0.987654 Bi\n0.045382 0.163080 0.982085 O\n0.545382 0.836920 0.517915 O\n0.954618 0.836920 0.017915 O\n0.454618 0.163080 0.482085 O\n0.819293 0.032829 0.891665 O\n0.319293 0.967171 0.608335 O\n0.180707 0.967171 0.108335 O\n0.680707 0.032829 0.391665 O\n0.806812 0.913967 0.139924 O\n0.306812 0.086033 0.360076 O\n0.193188 0.086033 0.860076 O\n0.693188 0.913967 0.639924 O\n0.315248 0.416077 0.872196 O\n0.815248 0.583923 0.627804 O\n0.684752 0.583923 0.127804 O\n0.184752 0.416077 0.372196 O\n0.347470 0.991973 0.156065 O\n0.847470 0.008027 0.343935 O\n0.652530 0.008027 0.843935 O\n0.152530 0.991973 0.656065 O\n0.346878 0.939869 0.873898 O\n0.433210 0.684118 0.818268 O\n0.846878 0.060131 0.626102 O\n0.153122 0.939869 0.373898 O\n0.486713 0.187388 0.740173 O\n0.986713 0.812612 0.759827 O\n0.513287 0.812612 0.259827 O\n0.013287 0.187388 0.240173 O\n0.453799 0.173752 0.980633 O\n0.953799 0.826248 0.519367 O\n0.546201 0.826248 0.019367 O\n0.046201 0.173752 0.480633 O\n0.905493 0.529300 0.214843 O\n0.405493 0.470700 0.285157 O\n0.094507 0.470700 0.785157 O\n0.594507 0.529300 0.714843 O\n0.761270 0.263294 0.198683 O\n0.261270 0.736706 0.301317 O\n0.238730 0.736706 0.801317 O\n0.738730 0.263294 0.698683 O\n0.732078 0.345011 0.479794 O\n0.232078 0.654989 0.020206 O\n0.267922 0.654989 0.520206 O\n0.767922 0.345011 0.979794 O\n0.726911 0.737332 0.339735 O\n0.226911 0.262668 0.160265 O\n0.273089 0.262668 0.660265 O\n0.773089 0.737332 0.839735 O\n0.891640 0.441133 0.448724 O\n0.391640 0.558867 0.051276 O\n0.108360 0.558867 0.551276 O\n0.608360 0.441133 0.948724 O\n0.066790 0.684118 0.318268 O\n0.566790 0.315882 0.181732 O\n0.933210 0.315882 0.681732 O\n0.653122 0.060131 0.126102 O\n",
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}