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{
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{
"id": "mp-530399",
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"structure_string": "Li4 Al20 O32\n1.0\n7.987367 0.000000 0.000000\n0.000000 7.987367 0.000000\n0.000000 0.000000 7.987367\nLi Al O\n4 20 32\ndirect\n0.125000 0.875000 0.375000 Li\n0.375000 0.125000 0.875000 Li\n0.625000 0.625000 0.625000 Li\n0.875000 0.375000 0.125000 Li\n0.997622 0.997622 0.997622 Al\n0.002378 0.497622 0.502378 Al\n0.118726 0.625000 0.131274 Al\n0.125000 0.368726 0.881274 Al\n0.131274 0.118726 0.625000 Al\n0.247622 0.747622 0.752378 Al\n0.252378 0.252378 0.252378 Al\n0.368726 0.881274 0.125000 Al\n0.375000 0.631274 0.381274 Al\n0.381274 0.375000 0.631274 Al\n0.497622 0.502378 0.002378 Al\n0.502378 0.002378 0.497622 Al\n0.618726 0.875000 0.868726 Al\n0.625000 0.131274 0.118726 Al\n0.631274 0.381274 0.375000 Al\n0.747622 0.752378 0.247622 Al\n0.752378 0.247622 0.747622 Al\n0.868726 0.618726 0.875000 Al\n0.875000 0.868726 0.618726 Al\n0.881274 0.125000 0.368726 Al\n0.614494 0.885506 0.114494 O\n0.615474 0.614717 0.366894 O\n0.864494 0.864494 0.864494 O\n0.865474 0.116894 0.135283 O\n0.866894 0.884526 0.385283 O\n0.885283 0.633106 0.115474 O\n0.114494 0.614494 0.885506 O\n0.114717 0.133106 0.384526 O\n0.115474 0.885283 0.633106 O\n0.116894 0.135283 0.865474 O\n0.133106 0.384526 0.114717 O\n0.135283 0.865474 0.116894 O\n0.364494 0.635506 0.135506 O\n0.364717 0.134526 0.616894 O\n0.365474 0.383106 0.864717 O\n0.366894 0.615474 0.614717 O\n0.383106 0.864717 0.365474 O\n0.384526 0.114717 0.133106 O\n0.385283 0.866894 0.884526 O\n0.385506 0.385506 0.385506 O\n0.614717 0.366894 0.615474 O\n0.616894 0.364717 0.134526 O\n0.633106 0.115474 0.885283 O\n0.634526 0.883106 0.635283 O\n0.635283 0.634526 0.883106 O\n0.635506 0.135506 0.364494 O\n0.864717 0.365474 0.383106 O\n0.883106 0.635283 0.634526 O\n0.884526 0.385283 0.866894 O\n0.885506 0.114494 0.614494 O\n0.134526 0.616894 0.364717 O\n0.135506 0.364494 0.635506 O\n",
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"spacegroup": 212
},
{
"id": "mp-1518732",
"created_at": "2022-09-04T14:39:58.736238Z",
"structure_string": "K1 La1 Nb4 O12\n1.0\n0.000000 -3.961354 -4.078269\n0.000000 -3.961354 4.078269\n-7.982946 0.000000 0.000000\nK La Nb O\n1 1 4 12\ndirect\n0.995556 0.004444 0.500000 K\n0.486529 0.513471 0.000000 La\n0.488864 0.016315 0.252284 Nb\n0.488864 0.016315 0.747716 Nb\n0.983685 0.511136 0.747716 Nb\n0.983685 0.511136 0.252284 Nb\n0.278573 0.268668 0.236248 O\n0.731332 0.721427 0.236248 O\n0.731332 0.721427 0.763752 O\n0.278573 0.268668 0.763752 O\n0.252195 0.747805 0.213992 O\n0.769237 0.230763 0.262939 O\n0.769237 0.230763 0.737061 O\n0.252195 0.747805 0.786008 O\n0.528019 0.025691 0.000000 O\n0.479955 0.980139 0.500000 O\n0.974309 0.471981 -0.000000 O\n0.019861 0.520045 0.500000 O\n",
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"volume": 257.936444783805,
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"formula_full": "K1 La1 Nb4 O12",
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},
{
"id": "mp-28985",
"created_at": "2022-09-04T14:39:23.563337Z",
"structure_string": "Sb4 Se4 Cl36\n1.0\n11.658734 0.000000 0.000000\n0.000000 9.734966 0.000000\n0.000000 3.173248 13.170322\nSb Se Cl\n4 4 36\ndirect\n0.250000 0.978750 0.378153 Sb\n0.750000 0.021250 0.621847 Sb\n0.250000 0.334459 0.828746 Sb\n0.750000 0.665541 0.171254 Sb\n0.750000 0.635283 0.678381 Se\n0.250000 0.364717 0.321619 Se\n0.250000 0.947239 0.880621 Se\n0.750000 0.052761 0.119379 Se\n0.607326 0.524481 0.625091 Cl\n0.107326 0.475519 0.374909 Cl\n0.750000 0.839012 0.005275 Cl\n0.250000 0.160988 0.994725 Cl\n0.894000 0.819987 0.223939 Cl\n0.394000 0.180013 0.776061 Cl\n0.106000 0.180013 0.776061 Cl\n0.606000 0.819987 0.223939 Cl\n0.750000 0.514628 0.336009 Cl\n0.250000 0.485372 0.663991 Cl\n0.898458 0.538639 0.111906 Cl\n0.398458 0.461361 0.888094 Cl\n0.101542 0.461361 0.888094 Cl\n0.601542 0.538639 0.111906 Cl\n0.392674 0.475519 0.374909 Cl\n0.892674 0.524481 0.625091 Cl\n0.750000 0.864554 0.501807 Cl\n0.250000 0.135446 0.498193 Cl\n0.605578 0.854857 0.717574 Cl\n0.105578 0.145143 0.282426 Cl\n0.394422 0.145143 0.282426 Cl\n0.894422 0.854857 0.717574 Cl\n0.750000 0.145502 0.752648 Cl\n0.250000 0.854498 0.247352 Cl\n0.602189 0.159278 0.528632 Cl\n0.102189 0.840722 0.471368 Cl\n0.397811 0.840722 0.471368 Cl\n0.897811 0.159278 0.528632 Cl\n0.250000 0.481115 0.161488 Cl\n0.750000 0.518885 0.838512 Cl\n0.750000 0.160129 0.244340 Cl\n0.250000 0.839871 0.755660 Cl\n0.892702 0.167052 0.030932 Cl\n0.392702 0.832948 0.969068 Cl\n0.107298 0.832948 0.969068 Cl\n0.607298 0.167052 0.030932 Cl\n",
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"elements": [
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],
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"volume": 1494.7970288114575,
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"formula_full": "Sb4 Se4 Cl36",
"formula_reduced": "SbSeCl9",
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"spacegroup": 11
},
{
"id": "mp-1196740",
"created_at": "2022-09-04T14:39:20.640971Z",
"structure_string": "Cs6 H24 N8 F6\n1.0\n-5.243114 5.243114 5.243114\n5.243114 -5.243114 5.243114\n5.243114 5.243114 -5.243114\nCs H N F\n6 24 8 6\ndirect\n0.250000 0.125000 0.875000 Cs\n0.750000 0.375000 0.625000 Cs\n0.375000 0.625000 0.750000 Cs\n0.125000 0.875000 0.250000 Cs\n0.625000 0.750000 0.375000 Cs\n0.875000 0.250000 0.125000 Cs\n0.712377 0.626999 0.044392 H\n0.417392 0.873001 0.585378 H\n0.082608 0.667986 0.455608 H\n0.787623 0.832014 0.914622 H\n0.544392 0.126999 0.212377 H\n0.085378 0.373001 0.917392 H\n0.955608 0.167986 0.582608 H\n0.414622 0.332014 0.287623 H\n0.626999 0.044392 0.712377 H\n0.873001 0.585378 0.417392 H\n0.667986 0.455608 0.082608 H\n0.832014 0.914622 0.787623 H\n0.126999 0.212377 0.544392 H\n0.373001 0.917392 0.085378 H\n0.167986 0.582608 0.955608 H\n0.332014 0.287623 0.414622 H\n0.044392 0.712377 0.626999 H\n0.585378 0.417392 0.873001 H\n0.455608 0.082608 0.667986 H\n0.914622 0.787623 0.832014 H\n0.212377 0.544392 0.126999 H\n0.917392 0.085378 0.373001 H\n0.582608 0.955608 0.167986 H\n0.287623 0.414622 0.332014 H\n0.698406 0.500000 0.000000 N\n0.500000 0.000000 0.698406 N\n0.000000 0.698406 0.500000 N\n0.801594 0.801594 0.801594 N\n0.500000 0.000000 0.198406 N\n0.198406 0.500000 0.000000 N\n0.000000 0.198406 0.500000 N\n0.301594 0.301594 0.301594 N\n0.750000 0.875000 0.125000 F\n0.250000 0.625000 0.375000 F\n0.625000 0.375000 0.250000 F\n0.875000 0.125000 0.750000 F\n0.375000 0.250000 0.625000 F\n0.125000 0.750000 0.875000 F\n",
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],
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},
{
"id": "mp-1245041",
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"structure_string": "Si100\n1.0\n12.653798 -1.387699 2.037969\n-1.437538 12.613952 -1.773289\n1.973539 -1.676174 12.668291\nSi\n100\ndirect\n0.883672 0.340779 0.168841 Si\n0.058932 0.682773 0.610024 Si\n0.120246 0.461280 0.726731 Si\n0.852182 0.450602 0.350605 Si\n0.903925 0.938030 0.991149 Si\n0.485770 0.940738 0.242009 Si\n0.366139 0.674171 0.802085 Si\n0.296047 0.717558 0.134519 Si\n0.567081 0.601354 0.503499 Si\n0.590453 0.875143 0.927030 Si\n0.953364 0.975402 0.759825 Si\n0.639840 0.151172 0.653235 Si\n0.350687 0.091914 0.630709 Si\n0.725438 0.801361 0.643074 Si\n0.528495 0.424633 0.721894 Si\n0.432716 0.708788 0.365262 Si\n0.717241 0.323380 0.119694 Si\n0.044840 0.524290 0.331134 Si\n0.040571 0.005062 0.572656 Si\n0.126248 0.797621 0.159857 Si\n0.600045 0.638989 0.977720 Si\n0.088881 0.056672 0.307294 Si\n0.087598 0.099203 0.050986 Si\n0.336425 0.311646 0.207239 Si\n0.617255 0.587890 0.662766 Si\n0.056965 0.579061 0.903940 Si\n0.364007 0.552382 0.102545 Si\n0.427206 0.434614 0.915345 Si\n0.427401 0.866236 0.080015 Si\n0.905432 0.774689 0.730377 Si\n0.838497 0.727778 0.905066 Si\n0.866776 0.085336 0.935922 Si\n0.537241 0.065401 0.516598 Si\n0.652234 0.884068 0.227012 Si\n0.998705 0.182186 0.570725 Si\n0.933416 0.755696 0.163313 Si\n0.024490 0.223998 0.328239 Si\n0.395105 0.815540 0.705184 Si\n0.313647 0.136547 0.371544 Si\n0.159487 0.980842 0.118900 Si\n0.922349 0.936831 0.272328 Si\n0.068215 0.713236 0.429261 Si\n0.309183 0.947791 0.385276 Si\n0.095273 0.018093 0.860246 Si\n0.786081 0.982871 0.436943 Si\n0.597755 0.889513 0.429270 Si\n0.167794 0.482718 0.976296 Si\n0.152688 0.859416 0.861151 Si\n0.849882 0.944716 0.570372 Si\n0.334992 0.954444 0.868651 Si\n0.270536 0.744268 0.335777 Si\n0.760420 0.086357 0.719776 Si\n0.469021 0.289902 0.418085 Si\n0.963090 0.429549 0.016418 Si\n0.764289 0.305523 0.449340 Si\n0.084724 0.410278 0.424709 Si\n0.532587 0.616909 0.174987 Si\n0.506898 0.423477 0.150680 Si\n0.694205 0.825573 0.024228 Si\n0.993719 0.751968 0.967712 Si\n0.832670 0.412352 0.725181 Si\n0.387496 0.563521 0.469463 Si\n0.585898 0.394235 0.282385 Si\n0.160987 0.315347 0.827107 Si\n0.576296 0.115147 0.209921 Si\n0.281538 0.281248 0.918769 Si\n0.824908 0.006635 0.186882 Si\n0.617319 0.051472 0.883120 Si\n0.410219 0.386488 0.606870 Si\n0.349946 0.119191 0.818118 Si\n0.530919 0.175135 0.843745 Si\n0.685445 0.336060 0.641753 Si\n0.217647 0.672148 0.966643 Si\n0.538007 0.690546 0.839563 Si\n0.201051 0.275769 0.107407 Si\n0.011075 0.491113 0.620925 Si\n0.752247 0.638790 0.193490 Si\n0.170154 0.460783 0.153228 Si\n0.726445 0.500550 0.902585 Si\n0.811942 0.640524 0.603421 Si\n0.937566 0.181182 0.181228 Si\n0.860596 0.723632 0.447182 Si\n0.217381 0.944353 0.578868 Si\n0.563747 0.362448 0.950344 Si\n0.692256 0.137623 0.033107 Si\n0.272204 0.395034 0.401654 Si\n0.217567 0.797508 0.663277 Si\n0.968539 0.256678 0.888286 Si\n0.791846 0.484701 0.046538 Si\n0.865361 0.174512 0.466058 Si\n0.609477 0.188569 0.390336 Si\n0.190322 0.251744 0.504869 Si\n0.888717 0.254916 0.748511 Si\n0.570783 0.793384 0.569931 Si\n0.721908 0.558536 0.348853 Si\n0.120856 0.900713 0.360713 Si\n0.411037 0.153814 0.186767 Si\n0.310416 0.535175 0.656813 Si\n0.351445 0.000850 0.053224 Si\n0.266934 0.243342 0.646242 Si\n",
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{
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