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{
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{
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"structure_string": "Mg1 Al4 H12 O12\n1.0\n-4.128737 3.734876 5.637335\n4.742964 -1.133700 5.518201\n4.116752 1.283979 -6.173609\nMg Al H O\n1 4 12 12\ndirect\n0.568186 0.431778 0.527678 Mg\n0.475555 0.850428 0.292046 Al\n0.518240 0.133081 0.698812 Al\n-0.008783 0.679288 0.631892 Al\n0.006531 0.309610 0.356193 Al\n0.911384 0.994537 0.523556 H\n0.037632 0.956509 0.284210 H\n0.503857 0.489017 0.829064 H\n0.475693 0.513943 0.136205 H\n-0.038137 0.612656 0.244236 H\n0.019312 0.375399 0.731189 H\n0.215391 0.117815 0.171667 H\n0.751227 0.855266 0.785550 H\n0.441892 0.877475 0.932442 H\n0.503244 0.211264 0.033019 H\n0.938219 0.332635 0.971548 H\n0.040745 0.635365 0.985647 H\n0.848804 0.908551 0.545741 O\n0.146486 0.075631 0.452990 O\n0.402401 0.388509 0.639169 O\n0.590195 0.588631 0.344757 O\n0.919349 0.560935 0.314700 O\n0.085881 0.424074 0.679211 O\n0.418926 0.116277 0.346778 O\n0.558840 0.878868 0.619224 O\n0.363027 0.797082 0.943029 O\n0.636365 0.173683 0.049627 O\n0.902171 0.228271 0.011136 O\n0.091051 0.751870 0.977292 O\n",
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{
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"structure_string": "Ar2\n1.0\n1.993797 -3.453358 0.000000\n1.993797 3.453358 0.000000\n0.000000 0.000000 6.538394\nAr\n2\ndirect\n0.333333 0.666667 0.250000 Ar\n0.666667 0.333333 0.750000 Ar\n",
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"updated_at": "2021-11-28T01:37:05.529000Z",
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},
{
"id": "mp-1046101",
"created_at": "2022-09-04T14:45:27.874875Z",
"structure_string": "Mg8 Ta8 Mn4 O32\n1.0\n5.232039 -0.001465 -0.032401\n-0.018451 11.558154 -3.547966\n-0.009164 -0.034571 10.180123\nMg Ta Mn O\n8 8 4 32\ndirect\n0.755847 0.207169 0.546066 Mg\n0.755845 0.707163 0.546056 Mg\n0.745220 0.434821 0.456201 Mg\n0.745230 0.934817 0.456201 Mg\n0.245222 0.292636 0.456162 Mg\n0.245221 0.792630 0.456152 Mg\n0.255787 0.065088 0.546190 Mg\n0.255794 0.565085 0.546185 Mg\n0.741234 0.140975 0.237963 Ta\n0.741255 0.640978 0.237946 Ta\n0.759814 0.022340 0.764374 Ta\n0.759845 0.522328 0.764366 Ta\n0.259815 0.358968 0.764293 Ta\n0.259811 0.858982 0.764278 Ta\n0.241305 0.477736 0.238066 Ta\n0.241306 0.977714 0.238059 Ta\n0.750407 0.827819 0.001206 Mn\n0.250349 0.172330 0.001199 Mn\n0.750369 0.327831 0.001258 Mn\n0.250520 0.672296 0.001064 Mn\n0.072134 0.090730 0.148839 O\n0.072146 0.590734 0.148825 O\n0.429059 0.016484 0.853569 O\n0.429074 0.516477 0.853560 O\n0.929056 0.409393 0.853586 O\n0.929053 0.909399 0.853579 O\n0.572029 0.483466 0.148691 O\n0.572023 0.983465 0.148688 O\n0.594063 0.216317 0.123409 O\n0.594062 0.716315 0.123397 O\n0.906735 0.154946 0.878963 O\n0.906753 0.654938 0.878958 O\n0.406685 0.283653 0.878959 O\n0.406682 0.783652 0.878938 O\n0.094037 0.345231 0.123440 O\n0.094048 0.845219 0.123422 O\n0.453846 0.145906 0.375873 O\n0.453844 0.645902 0.375865 O\n0.047218 0.458415 0.626418 O\n0.047215 0.958414 0.626420 O\n0.953810 0.041562 0.375955 O\n0.953807 0.541564 0.375956 O\n0.547182 0.353908 0.626393 O\n0.547182 0.853908 0.626387 O\n0.379695 0.419542 0.385467 O\n0.379702 0.919542 0.385474 O\n0.121268 0.227253 0.616846 O\n0.121267 0.727253 0.616843 O\n0.621295 0.080347 0.616863 O\n0.621299 0.580348 0.616870 O\n0.879711 0.272662 0.385468 O\n0.879705 0.772659 0.385463 O\n",
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"volume": 614.9741311894633,
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"formula_full": "Mg8 Ta8 Mn4 O32",
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"spacegroup": 15
},
{
"id": "mp-1097247",
"created_at": "2022-09-04T14:45:57.024629Z",
"structure_string": "K1 Rb1 Au2\n1.0\n-6.301003 6.510713 9.215288\n6.301003 -6.510713 9.215288\n6.301003 6.510713 -9.215288\nK Rb Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.500000 0.500000 Rb\n0.000000 0.244555 0.244555 Au\n0.000000 0.755445 0.755445 Au\n",
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"volume": 1512.1927159433346,
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"formula_full": "K1 Rb1 Au2",
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"updated_at": "2021-11-28T01:37:13.079000Z",
"spacegroup": 71
},
{
"id": "mp-1016830",
"created_at": "2022-09-04T14:45:25.684290Z",
"structure_string": "Mg1 Ti1 O3\n1.0\n3.842492 0.000000 0.000000\n0.000000 3.842492 0.000000\n0.000000 0.000000 3.842492\nMg Ti O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Ti\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
"id": "mp-696315",
"created_at": "2022-09-04T14:45:25.736891Z",
"structure_string": "Na8 H8 N8 O16\n1.0\n6.358691 0.000000 0.000000\n0.000000 6.808393 0.000000\n0.000000 0.000000 9.887124\nNa H N O\n8 8 8 16\ndirect\n0.000000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Na\n0.000000 0.000000 0.500000 Na\n0.341163 0.500000 0.750000 Na\n0.658837 0.000000 0.250000 Na\n0.658837 0.500000 0.250000 Na\n0.341163 0.000000 0.750000 Na\n0.838445 0.606487 0.724124 H\n0.161555 0.106487 0.275876 H\n0.838445 0.393513 0.775876 H\n0.161555 0.893513 0.224124 H\n0.161555 0.393513 0.275876 H\n0.838445 0.893513 0.724124 H\n0.161555 0.606487 0.224124 H\n0.838445 0.106487 0.775876 H\n0.579300 0.750000 0.524928 N\n0.420700 0.250000 0.475072 N\n0.579300 0.250000 0.975072 N\n0.420700 0.750000 0.024928 N\n0.389830 0.750000 0.475487 N\n0.610170 0.250000 0.524513 N\n0.389830 0.250000 0.024513 N\n0.610170 0.750000 0.975487 N\n0.739271 0.750000 0.439883 O\n0.260729 0.250000 0.560117 O\n0.739271 0.250000 0.060117 O\n0.260729 0.750000 0.939883 O\n0.618199 0.750000 0.656983 O\n0.381801 0.250000 0.343017 O\n0.618199 0.250000 0.843017 O\n0.381801 0.750000 0.156983 O\n0.240775 0.750000 0.571561 O\n0.759225 0.250000 0.428439 O\n0.240775 0.250000 0.928439 O\n0.759225 0.750000 0.071561 O\n0.937110 0.500000 0.750000 O\n0.062890 0.000000 0.250000 O\n0.062890 0.500000 0.250000 O\n0.937110 0.000000 0.750000 O\n",
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{
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"structure_string": "Li4 Sn4 P12 O36\n1.0\n7.942404 0.000000 0.000000\n0.000000 9.351697 0.000000\n0.000000 0.000000 12.961891\nLi Sn P O\n4 4 12 36\ndirect\n0.750000 0.487803 0.441195 Li\n0.750000 0.987803 0.058805 Li\n0.250000 0.512197 0.558805 Li\n0.250000 0.012197 0.941195 Li\n0.750000 0.527481 0.717222 Sn\n0.750000 0.027481 0.782778 Sn\n0.250000 0.972519 0.217222 Sn\n0.250000 0.472519 0.282778 Sn\n0.937276 0.738633 0.348034 P\n0.937276 0.238633 0.151966 P\n0.750000 0.295438 0.971608 P\n0.750000 0.795438 0.528392 P\n0.562724 0.238633 0.151966 P\n0.562724 0.738633 0.348034 P\n0.437276 0.261367 0.651966 P\n0.437276 0.761367 0.848034 P\n0.250000 0.704562 0.028392 P\n0.250000 0.204562 0.471608 P\n0.062724 0.261367 0.651966 P\n0.062724 0.761367 0.848034 P\n0.023989 0.665702 0.759231 O\n0.023989 0.165702 0.740769 O\n0.948439 0.883775 0.878134 O\n0.948439 0.383775 0.621866 O\n0.906429 0.333288 0.047840 O\n0.906429 0.833288 0.452160 O\n0.750000 0.662409 0.333216 O\n0.750000 0.890793 0.619205 O\n0.750000 0.390793 0.880795 O\n0.750000 0.133712 0.953935 O\n0.750000 0.162409 0.166784 O\n0.750000 0.633712 0.546065 O\n0.593571 0.333288 0.047840 O\n0.593571 0.833288 0.452160 O\n0.551561 0.883775 0.878134 O\n0.551561 0.383775 0.621866 O\n0.476011 0.665702 0.759231 O\n0.476011 0.165702 0.740769 O\n0.523989 0.834298 0.259231 O\n0.523989 0.334298 0.240769 O\n0.448439 0.616225 0.378134 O\n0.448439 0.116225 0.121866 O\n0.406429 0.166712 0.547840 O\n0.406429 0.666712 0.952160 O\n0.250000 0.866288 0.046065 O\n0.250000 0.609207 0.119205 O\n0.250000 0.366288 0.453935 O\n0.250000 0.109207 0.380795 O\n0.250000 0.337591 0.666784 O\n0.250000 0.837591 0.833216 O\n0.093571 0.166712 0.547840 O\n0.093571 0.666712 0.952160 O\n0.051561 0.616225 0.378134 O\n0.051561 0.116225 0.121866 O\n0.976011 0.334298 0.240769 O\n0.976011 0.834298 0.259231 O\n",
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{
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"created_at": "2022-09-04T14:45:30.990002Z",
"structure_string": "Sm16 Au8 O36\n1.0\n6.100679 0.000000 0.000000\n0.000000 11.948055 0.000000\n0.000000 0.000000 11.957469\nSm Au O\n16 8 36\ndirect\n0.258695 0.988714 0.089890 Sm\n0.258695 0.011286 0.410110 Sm\n0.241305 0.511286 0.589890 Sm\n0.241305 0.488714 0.910110 Sm\n0.741305 0.011286 0.910110 Sm\n0.741305 0.988714 0.589890 Sm\n0.758695 0.488714 0.410110 Sm\n0.758695 0.511286 0.089890 Sm\n0.196167 0.659430 0.264002 Sm\n0.196167 0.340570 0.235998 Sm\n0.303833 0.840570 0.764002 Sm\n0.303833 0.159430 0.735998 Sm\n0.803833 0.340570 0.735998 Sm\n0.803833 0.659430 0.764002 Sm\n0.696167 0.159430 0.235998 Sm\n0.696167 0.840570 0.264002 Sm\n0.419728 0.728688 0.010690 Au\n0.419728 0.271312 0.489310 Au\n0.080272 0.771312 0.510690 Au\n0.080272 0.228688 0.989310 Au\n0.580272 0.271312 0.989310 Au\n0.580272 0.728688 0.510690 Au\n0.919728 0.228688 0.489310 Au\n0.919728 0.771312 0.010690 Au\n0.063282 0.613636 0.445499 O\n0.063282 0.386364 0.054501 O\n0.436718 0.886364 0.945499 O\n0.436718 0.113636 0.554501 O\n0.936718 0.386364 0.554501 O\n0.936718 0.613636 0.945499 O\n0.563282 0.113636 0.054501 O\n0.563282 0.886364 0.445499 O\n0.060435 0.836774 0.350549 O\n0.060435 0.163226 0.149451 O\n0.439565 0.663226 0.850549 O\n0.439565 0.336774 0.649451 O\n0.939565 0.163226 0.649451 O\n0.939565 0.836774 0.850549 O\n0.372737 0.803474 0.159417 O\n0.560435 0.336774 0.149451 O\n0.388429 0.576078 0.088797 O\n0.388429 0.423922 0.411203 O\n0.111571 0.923922 0.588797 O\n0.111571 0.076078 0.911203 O\n0.611571 0.423922 0.911203 O\n0.611571 0.576078 0.588797 O\n0.888429 0.076078 0.411203 O\n0.888429 0.923922 0.088797 O\n0.976568 0.500000 0.250000 O\n0.523432 0.000000 0.750000 O\n0.023432 0.500000 0.750000 O\n0.476568 0.000000 0.250000 O\n0.872737 0.696526 0.159417 O\n0.872737 0.303474 0.340583 O\n0.627263 0.803474 0.659417 O\n0.627263 0.196526 0.840583 O\n0.127263 0.303474 0.840583 O\n0.127263 0.696526 0.659417 O\n0.372737 0.196526 0.340583 O\n0.560435 0.663226 0.350549 O\n",
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{
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}