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{
"id": "mp-1210916",
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"structure_string": "Mg12 H8 S8 O40\n1.0\n7.543170 0.000000 0.000000\n0.000000 7.543170 0.000000\n0.000000 0.000000 13.129169\nMg H S O\n12 8 8 40\ndirect\n0.397845 0.142370 0.243183 Mg\n0.602155 0.857630 0.743183 Mg\n0.357630 0.897845 0.493183 Mg\n0.102155 0.642370 0.006817 Mg\n0.642370 0.102155 0.993183 Mg\n0.897845 0.357630 0.506817 Mg\n0.142370 0.397845 0.756817 Mg\n0.857630 0.602155 0.256817 Mg\n0.372533 0.372533 0.000000 Mg\n0.627467 0.627467 0.500000 Mg\n0.127467 0.872533 0.250000 Mg\n0.872533 0.127467 0.750000 Mg\n0.177388 0.097873 0.387834 H\n0.822612 0.902127 0.887834 H\n0.402127 0.677388 0.637834 H\n0.322612 0.597873 0.862166 H\n0.597873 0.322612 0.137834 H\n0.677388 0.402127 0.362166 H\n0.097873 0.177388 0.612166 H\n0.902127 0.822612 0.112166 H\n0.001728 0.250182 0.124004 S\n0.998272 0.749818 0.624004 S\n0.249818 0.501728 0.374004 S\n0.498272 0.750182 0.125996 S\n0.750182 0.498272 0.874004 S\n0.501728 0.249818 0.625996 S\n0.250182 0.001728 0.875996 S\n0.749818 0.998272 0.375996 S\n0.142008 0.391203 0.442414 O\n0.857992 0.608797 0.942414 O\n0.108797 0.642008 0.692414 O\n0.357992 0.891203 0.807586 O\n0.891203 0.357992 0.192414 O\n0.642008 0.108797 0.307586 O\n0.391203 0.142008 0.557586 O\n0.608797 0.857992 0.057586 O\n0.122828 0.131495 0.183727 O\n0.877172 0.868505 0.683727 O\n0.368505 0.622828 0.433727 O\n0.377172 0.631495 0.066273 O\n0.631495 0.377172 0.933727 O\n0.622828 0.368505 0.566273 O\n0.131495 0.122828 0.816273 O\n0.868505 0.877172 0.316273 O\n0.259185 0.008679 0.361194 O\n0.740815 0.991321 0.861194 O\n0.491321 0.759185 0.611194 O\n0.240815 0.508679 0.888806 O\n0.508679 0.240815 0.111194 O\n0.759185 0.491321 0.388806 O\n0.008679 0.259185 0.638806 O\n0.991321 0.740815 0.138806 O\n0.359424 0.390207 0.307204 O\n0.640576 0.609793 0.807204 O\n0.109793 0.859424 0.557204 O\n0.140576 0.890207 0.942796 O\n0.890207 0.140576 0.057204 O\n0.859424 0.109793 0.442796 O\n0.390207 0.359424 0.692796 O\n0.609793 0.640576 0.192796 O\n0.117942 0.370779 0.062116 O\n0.882058 0.629221 0.562116 O\n0.129221 0.617942 0.312116 O\n0.382058 0.870779 0.187884 O\n0.870779 0.382058 0.812116 O\n0.617942 0.129221 0.687884 O\n0.370779 0.117942 0.937884 O\n0.629221 0.882058 0.437884 O\n",
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"updated_at": "2021-11-28T01:37:25.398000Z",
"spacegroup": 92
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{
"id": "mp-765894",
"created_at": "2022-09-04T14:39:19.112443Z",
"structure_string": "Li5 V1 F8\n1.0\n2.910050 -4.276026 0.000000\n2.910050 4.276026 0.000000\n0.000000 0.000000 5.963111\nLi V F\n5 1 8\ndirect\n0.000000 0.500000 0.228447 Li\n0.000000 0.500000 0.771553 Li\n0.500000 0.500000 0.000000 Li\n0.500000 0.000000 0.228447 Li\n0.500000 0.000000 0.771553 Li\n0.500000 0.500000 0.500000 V\n0.264630 0.735370 0.500000 F\n0.268550 0.731450 0.000000 F\n0.273330 0.273330 0.259933 F\n0.273330 0.273330 0.740067 F\n0.726670 0.726670 0.259933 F\n0.726670 0.726670 0.740067 F\n0.731450 0.268550 0.000000 F\n0.735370 0.264630 0.500000 F\n",
"nsites": 14,
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"elements": [
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"formula_full": "Li5 V1 F8",
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{
"id": "mp-1201099",
"created_at": "2022-09-04T14:46:19.559530Z",
"structure_string": "Sb8 Te12 H8 C4 N8 Cl72\n1.0\n13.221406 0.000000 0.000000\n0.000000 16.001700 0.000000\n0.000000 5.129314 15.426937\nSb Te H C N Cl\n8 12 8 4 8 72\ndirect\n0.421312 0.910058 0.362959 Sb\n0.921312 0.089942 0.137041 Sb\n0.578688 0.089942 0.637041 Sb\n0.078688 0.910058 0.862959 Sb\n0.712004 0.575257 0.426394 Sb\n0.212004 0.424743 0.073606 Sb\n0.287996 0.424743 0.573606 Sb\n0.787996 0.575257 0.926394 Sb\n0.596014 0.697186 0.107196 Te\n0.096014 0.302814 0.392804 Te\n0.403986 0.302814 0.892804 Te\n0.903986 0.697186 0.607196 Te\n0.407717 0.744355 0.249596 Te\n0.907717 0.255645 0.250404 Te\n0.592283 0.255645 0.750404 Te\n0.092283 0.744355 0.749596 Te\n0.610779 0.863696 0.219056 Te\n0.110779 0.136304 0.280944 Te\n0.389221 0.136304 0.780944 Te\n0.889221 0.863696 0.719056 Te\n0.077535 0.676495 0.160996 H\n0.577535 0.323505 0.339004 H\n0.922465 0.323505 0.839004 H\n0.422465 0.676495 0.660996 H\n0.986991 0.617862 0.243075 H\n0.486991 0.382138 0.256925 H\n0.013009 0.382138 0.756925 H\n0.513009 0.617862 0.743075 H\n0.050277 0.664515 0.227099 C\n0.550277 0.335485 0.272901 C\n0.949723 0.335485 0.772901 C\n0.449723 0.664515 0.727099 C\n0.542772 0.763410 0.184306 N\n0.042772 0.236590 0.315694 N\n0.457228 0.236590 0.815694 N\n0.957228 0.763410 0.684306 N\n0.475422 0.844361 0.278583 N\n0.975422 0.155639 0.221417 N\n0.524578 0.155639 0.721417 N\n0.024578 0.844361 0.778583 N\n0.518091 0.781351 0.978785 Cl\n0.018091 0.218649 0.521215 Cl\n0.481909 0.218649 0.021215 Cl\n0.981909 0.781351 0.478785 Cl\n0.735503 0.805520 0.090850 Cl\n0.235503 0.194480 0.409150 Cl\n0.264497 0.194480 0.909150 Cl\n0.764497 0.805520 0.590850 Cl\n0.433197 0.613554 0.159221 Cl\n0.933197 0.386446 0.340779 Cl\n0.566803 0.386446 0.840779 Cl\n0.066803 0.613554 0.659221 Cl\n0.307184 0.827424 0.133616 Cl\n0.807184 0.172576 0.366384 Cl\n0.692816 0.172576 0.866384 Cl\n0.192816 0.827424 0.633616 Cl\n0.564353 0.982097 0.097156 Cl\n0.064353 0.017903 0.402844 Cl\n0.435647 0.017903 0.902844 Cl\n0.935647 0.982097 0.597156 Cl\n0.487662 0.797467 0.483989 Cl\n0.987662 0.202533 0.016011 Cl\n0.512338 0.202533 0.516011 Cl\n0.012338 0.797467 0.983989 Cl\n0.270554 0.821552 0.364357 Cl\n0.770554 0.178448 0.135643 Cl\n0.729446 0.178448 0.635643 Cl\n0.229446 0.821552 0.864357 Cl\n0.354712 0.026534 0.242272 Cl\n0.854712 0.973466 0.257728 Cl\n0.645288 0.973466 0.757728 Cl\n0.145288 0.026534 0.742272 Cl\n0.590130 0.978671 0.331490 Cl\n0.090130 0.021329 0.168510 Cl\n0.409870 0.021329 0.668510 Cl\n0.909870 0.978671 0.831490 Cl\n0.361360 0.986642 0.456177 Cl\n0.861360 0.013358 0.043823 Cl\n0.638640 0.013358 0.543823 Cl\n0.138640 0.986642 0.956177 Cl\n0.676062 0.575202 0.571452 Cl\n0.176062 0.424798 0.928548 Cl\n0.323938 0.424798 0.428548 Cl\n0.823938 0.575202 0.071452 Cl\n0.889805 0.566421 0.458997 Cl\n0.389805 0.433579 0.041003 Cl\n0.110195 0.433579 0.541003 Cl\n0.610195 0.566421 0.958997 Cl\n0.726016 0.736932 0.380937 Cl\n0.226016 0.263068 0.119063 Cl\n0.273984 0.263068 0.619063 Cl\n0.773984 0.736932 0.880937 Cl\n0.747342 0.583527 0.277071 Cl\n0.247342 0.416473 0.222929 Cl\n0.252658 0.416473 0.722929 Cl\n0.752658 0.583527 0.777071 Cl\n0.531854 0.591163 0.391910 Cl\n0.031854 0.408837 0.108090 Cl\n0.468146 0.408837 0.608090 Cl\n0.968146 0.591163 0.891910 Cl\n0.697959 0.419428 0.467803 Cl\n0.197959 0.580572 0.032197 Cl\n0.302041 0.580572 0.532197 Cl\n0.802041 0.419428 0.967803 Cl\n0.151537 0.615989 0.298970 Cl\n0.651537 0.384011 0.201030 Cl\n0.848463 0.384011 0.701030 Cl\n0.348463 0.615989 0.798970 Cl\n0.008812 0.765378 0.238402 Cl\n0.508812 0.234622 0.261598 Cl\n0.991188 0.234622 0.761598 Cl\n0.491188 0.765378 0.738402 Cl\n",
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"formula_full": "Sb8 Te12 H8 C4 N8 Cl72",
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{
"id": "mp-1021161",
"created_at": "2022-09-04T14:40:32.903241Z",
"structure_string": "Cs1 La1 Mg6\n1.0\n3.924928 -6.644467 0.000000\n3.924928 6.644467 0.000000\n0.000000 0.000000 5.000702\nCs La Mg\n1 1 6\ndirect\n0.287567 0.712433 0.500000 Cs\n0.887346 0.112654 0.500000 La\n0.389047 0.220562 0.500000 Mg\n0.779438 0.610953 0.500000 Mg\n0.253283 0.343916 0.000000 Mg\n0.656084 0.746717 0.000000 Mg\n0.689215 0.310785 0.000000 Mg\n0.076540 0.923460 0.000000 Mg\n",
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{
"id": "mp-30958",
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{
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"created_at": "2022-09-04T14:39:10.409668Z",
"structure_string": "K8 Li8 Fe4 O16\n1.0\n9.103772 0.000000 0.000000\n0.000000 5.542339 0.000000\n0.000000 3.971809 10.492408\nK Li Fe O\n8 8 4 16\ndirect\n0.748470 0.233201 0.132740 K\n0.500613 0.290976 0.357468 K\n0.751530 0.233201 0.632740 K\n0.000613 0.709024 0.142532 K\n0.999387 0.290976 0.857468 K\n0.248470 0.766799 0.367260 K\n0.499387 0.709024 0.642532 K\n0.251530 0.766799 0.867260 K\n0.486690 0.640204 0.073754 Li\n0.246605 0.379887 0.195688 Li\n0.986690 0.359796 0.426246 Li\n0.746605 0.620113 0.304312 Li\n0.253395 0.379887 0.695688 Li\n0.013310 0.640204 0.573754 Li\n0.513310 0.359796 0.926246 Li\n0.753395 0.620113 0.804312 Li\n0.292520 0.109434 0.053726 Fe\n0.207480 0.109434 0.553726 Fe\n0.792520 0.890566 0.446274 Fe\n0.707480 0.890566 0.946274 Fe\n0.309211 0.262652 0.876907 O\n0.704947 0.245486 0.878874 O\n0.932451 0.719864 0.382918 O\n0.621192 0.790074 0.402114 O\n0.690789 0.737348 0.123093 O\n0.295053 0.754514 0.121126 O\n0.067549 0.280136 0.617082 O\n0.378808 0.209926 0.597886 O\n0.795053 0.245486 0.378874 O\n0.190789 0.262652 0.376907 O\n0.121192 0.209926 0.097886 O\n0.432451 0.280136 0.117082 O\n0.878808 0.790074 0.902114 O\n0.567549 0.719864 0.882918 O\n0.809211 0.737348 0.623093 O\n0.204947 0.754514 0.621126 O\n",
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