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{
"id": "mp-1204525",
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"formula_full": "K4 Sn2 S12 O42",
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"spacegroup": 147
},
{
"id": "mp-1101362",
"created_at": "2022-09-04T14:40:02.273790Z",
"structure_string": "Sr2 Ca4 I12\n1.0\n7.352526 4.306715 0.000000\n-7.352526 4.306715 0.000000\n0.000000 0.944343 11.832717\nSr Ca I\n2 4 12\ndirect\n0.019010 0.980990 0.750000 Sr\n0.980990 0.019010 0.250000 Sr\n0.414921 0.707626 0.434517 Ca\n0.292374 0.585079 0.065483 Ca\n0.707626 0.414921 0.934517 Ca\n0.585079 0.292374 0.565483 Ca\n0.596236 0.707538 0.871286 I\n0.439163 0.081405 0.804881 I\n0.243743 0.972059 0.462719 I\n0.027941 0.756257 0.037281 I\n0.918595 0.560837 0.695119 I\n0.292462 0.403764 0.628714 I\n0.707538 0.596236 0.371286 I\n0.081405 0.439163 0.304881 I\n0.972059 0.243743 0.962719 I\n0.756257 0.027941 0.537281 I\n0.560837 0.918595 0.195119 I\n0.403764 0.292462 0.128714 I\n",
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"elements": [
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"volume": 749.371505607671,
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"formula_full": "Sr2 Ca4 I12",
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{
"id": "mp-768782",
"created_at": "2022-09-04T14:40:05.552205Z",
"structure_string": "Li6 Mn4 P4 C4 O28\n1.0\n-7.933204 5.055738 -0.064008\n-0.312732 -5.025286 6.474093\n0.448259 5.072760 6.518417\nLi Mn P C O\n6 4 4 4 28\ndirect\n0.751556 0.993393 0.496794 Li\n0.745940 0.764049 0.255751 Li\n0.730119 0.474155 0.977200 Li\n0.269881 0.525845 0.022800 Li\n0.254060 0.235951 0.744249 Li\n0.248444 0.006607 0.503206 Li\n0.667201 0.311704 0.440793 Mn\n0.667126 0.819988 0.933474 Mn\n0.332874 0.180012 0.066526 Mn\n0.332799 0.688296 0.559207 Mn\n0.580242 0.057130 0.209508 P\n0.577068 0.545626 0.695398 P\n0.419758 0.942870 0.790492 P\n0.422932 0.454374 0.304602 P\n0.950482 0.492075 0.249815 C\n0.952343 0.991973 0.751360 C\n0.047657 0.008027 0.248640 C\n0.049518 0.507925 0.750185 C\n0.892743 0.858156 0.908110 O\n0.896719 0.351029 0.399716 O\n0.899020 0.916994 0.337710 O\n0.827175 0.529650 0.225717 O\n0.908648 0.422229 0.856169 O\n0.839119 0.020034 0.700475 O\n0.671842 0.959999 0.117954 O\n0.674886 0.463916 0.580994 O\n0.678361 0.631717 0.791141 O\n0.690096 0.162377 0.293336 O\n0.590412 0.599941 0.166256 O\n0.545840 0.695408 0.563923 O\n0.543964 0.198158 0.080602 O\n0.586250 0.080425 0.640724 O\n0.413750 0.919575 0.359276 O\n0.456036 0.801841 0.919398 O\n0.454160 0.304592 0.436077 O\n0.409588 0.400059 0.833744 O\n0.309904 0.837623 0.706664 O\n0.325114 0.536084 0.419006 O\n0.321639 0.368283 0.208859 O\n0.328158 0.040001 0.882046 O\n0.160881 0.979966 0.299525 O\n0.091352 0.577771 0.143831 O\n0.172825 0.470350 0.774283 O\n0.100980 0.083006 0.662290 O\n0.107257 0.141844 0.091890 O\n0.103281 0.648971 0.600284 O\n",
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"volume": 545.3414004654421,
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"formula_full": "Li6 Mn4 P4 C4 O28",
"formula_reduced": "Li3Mn2P2(CO7)2",
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},
{
"id": "mp-1374127",
"created_at": "2022-09-04T14:40:02.108052Z",
"structure_string": "Cr4 F20\n1.0\n9.770393 0.000000 0.000000\n0.000000 5.348484 0.000000\n0.000000 2.542773 6.941654\nCr F\n4 20\ndirect\n0.751672 0.118394 0.596605 Cr\n0.251672 0.881606 0.903395 Cr\n0.248328 0.881606 0.403395 Cr\n0.748328 0.118394 0.096605 Cr\n0.863968 0.386201 0.569591 F\n0.363968 0.613799 0.930409 F\n0.136032 0.613799 0.430409 F\n0.636032 0.386201 0.069591 F\n0.621566 0.347972 0.492532 F\n0.121566 0.652028 0.007468 F\n0.378434 0.652028 0.507468 F\n0.878434 0.347972 0.992532 F\n0.384130 0.109100 0.801650 F\n0.884130 0.890900 0.698350 F\n0.615870 0.890900 0.198350 F\n0.115870 0.109100 0.301650 F\n0.140621 0.151878 0.874096 F\n0.640621 0.848122 0.625904 F\n0.859379 0.848122 0.125904 F\n0.359379 0.151878 0.374096 F\n0.695242 0.117112 0.846387 F\n0.195242 0.882888 0.653613 F\n0.304758 0.882888 0.153613 F\n0.804758 0.117112 0.346387 F\n",
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{
"id": "mp-1213135",
"created_at": "2022-09-04T14:40:02.629394Z",
"structure_string": "Er4 Sn6 Pb6 S24\n1.0\n-3.944725 0.000000 0.000000\n0.000000 0.000000 -11.630605\n0.000000 -20.345158 0.000000\nEr Sn Pb S\n4 6 6 24\ndirect\n0.500000 0.649754 0.411758 Er\n0.500000 0.149754 0.588242 Er\n0.500000 0.824946 0.895087 Er\n0.500000 0.324946 0.104913 Er\n0.000000 0.000858 0.750555 Sn\n0.000000 0.500858 0.249445 Sn\n0.000000 0.518993 0.911944 Sn\n0.000000 0.018993 0.088056 Sn\n0.000000 0.993726 0.424596 Sn\n0.000000 0.493726 0.575404 Sn\n0.500000 0.403770 0.742194 Pb\n0.500000 0.903770 0.257806 Pb\n0.500000 0.197200 0.914010 Pb\n0.500000 0.697200 0.085990 Pb\n0.500000 0.770875 0.622378 Pb\n0.500000 0.270875 0.377622 Pb\n0.000000 0.989188 0.876410 S\n0.000000 0.489188 0.123590 S\n0.000000 0.987462 0.625895 S\n0.000000 0.487462 0.374105 S\n0.000000 0.682859 0.509401 S\n0.000000 0.182859 0.490599 S\n0.500000 0.645796 0.257667 S\n0.500000 0.145796 0.742333 S\n0.500000 0.849210 0.757892 S\n0.500000 0.349210 0.242108 S\n0.500000 0.601676 0.841581 S\n0.500000 0.101676 0.158419 S\n0.500000 0.439869 0.983814 S\n0.500000 0.939869 0.016186 S\n0.500000 0.936143 0.490474 S\n0.500000 0.436143 0.509526 S\n0.000000 0.336536 0.842670 S\n0.000000 0.836536 0.157330 S\n0.000000 0.715235 0.968475 S\n0.000000 0.215235 0.031525 S\n0.000000 0.803062 0.359279 S\n0.000000 0.303062 0.640721 S\n0.000000 0.602141 0.678614 S\n0.000000 0.102141 0.321386 S\n",
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{
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{
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"structure_string": "Li4 Al4 Si4 H8 O20\n1.0\n5.109379 0.000000 0.000000\n0.000000 8.492595 0.000000\n0.000000 0.000000 11.946309\nLi Al Si H O\n4 4 4 8 20\ndirect\n0.059272 0.747160 0.395052 Li\n0.559272 0.247160 0.104948 Li\n0.559272 0.252840 0.604948 Li\n0.059272 0.752840 0.895052 Li\n0.754711 0.646916 0.653652 Al\n0.254711 0.146916 0.846348 Al\n0.754711 0.853084 0.153652 Al\n0.254711 0.353084 0.346348 Al\n0.217605 0.464909 0.724848 Si\n0.717605 0.964909 0.775152 Si\n0.717605 0.535091 0.275152 Si\n0.217605 0.035091 0.224848 Si\n0.965836 0.021329 0.376180 H\n0.465836 0.521329 0.123820 H\n0.465836 0.978671 0.623820 H\n0.289708 0.139050 0.456163 H\n0.789708 0.860950 0.543837 H\n0.789708 0.639050 0.043837 H\n0.965836 0.478671 0.876180 H\n0.289708 0.360950 0.956163 H\n0.440641 0.527010 0.341228 O\n0.940641 0.027010 0.158772 O\n0.331160 0.250529 0.971879 O\n0.137768 0.976723 0.359861 O\n0.931943 0.084263 0.823829 O\n0.931943 0.415737 0.323829 O\n0.830653 0.714525 0.262856 O\n0.830653 0.785475 0.762856 O\n0.431943 0.584263 0.676171 O\n0.431943 0.915737 0.176171 O\n0.831160 0.749471 0.028121 O\n0.331160 0.249471 0.471879 O\n0.831160 0.750529 0.528121 O\n0.330653 0.214525 0.237144 O\n0.940641 0.472990 0.658772 O\n0.137768 0.523277 0.859861 O\n0.637768 0.023277 0.640139 O\n0.330653 0.285475 0.737144 O\n0.440641 0.972990 0.841228 O\n0.637768 0.476723 0.140139 O\n",
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"formula_full": "Li4 Al4 Si4 H8 O20",
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{
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"structure_string": "Ba2 Pr1 Ru1 O6\n1.0\n0.000000 4.315660 4.315660\n4.315660 0.000000 4.315660\n4.315660 4.315660 0.000000\nBa Pr Ru O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Ru\n0.729478 0.729478 0.270523 O\n0.729477 0.270522 0.729478 O\n0.270522 0.729478 0.270523 O\n0.729478 0.270522 0.270522 O\n0.270522 0.270522 0.729478 O\n0.270522 0.729478 0.729478 O\n",
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