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{
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{
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"structure_string": "K1 Mg2 P2 H31 O23\n1.0\n6.602551 0.000000 0.000000\n0.141195 6.809560 0.000000\n1.761024 1.029048 12.113953\nK Mg P H O\n1 2 2 31 23\ndirect\n0.449593 0.462836 0.212338 K\n0.010685 0.501156 0.496715 Mg\n0.463527 0.013581 0.942085 Mg\n0.879162 0.960404 0.200751 P\n0.092185 0.050001 0.806631 P\n0.880856 0.871730 0.410648 H\n0.115567 0.134637 0.593802 H\n0.779209 0.266801 0.854232 H\n0.232455 0.791878 0.124465 H\n0.795212 0.988529 0.675914 H\n0.203411 0.024366 0.329033 H\n0.564511 0.666372 0.870116 H\n0.437969 0.110048 0.132597 H\n0.549909 0.991932 0.690800 H\n0.455520 0.997260 0.308215 H\n0.897683 0.565209 0.111780 H\n0.143656 0.436643 0.888665 H\n0.695611 0.215057 0.572285 H\n0.317331 0.779835 0.421613 H\n0.770515 0.768162 0.896880 H\n0.210619 0.148516 0.097197 H\n0.771291 0.830420 0.534196 H\n0.240963 0.162941 0.473567 H\n0.562347 0.493273 0.632606 H\n0.413774 0.599979 0.487626 H\n0.883796 0.342398 0.081872 H\n0.130198 0.648378 0.928066 H\n0.014778 0.454901 0.719516 H\n0.984219 0.549841 0.277071 H\n0.012388 0.694141 0.685572 H\n0.978009 0.306711 0.309013 H\n0.556238 0.344701 0.830877 H\n0.470225 0.836854 0.136227 H\n0.975546 0.993078 0.989529 H\n0.709170 0.307874 0.449349 H\n0.358246 0.567309 0.698247 H\n0.640769 0.951882 0.207141 O\n0.322328 0.034159 0.810816 O\n0.673468 0.010129 0.635082 O\n0.330326 0.014497 0.365000 O\n0.806416 0.467626 0.090309 O\n0.225112 0.538079 0.914817 O\n0.626800 0.255840 0.880374 O\n0.377425 0.793556 0.085333 O\n0.848673 0.764861 0.471851 O\n0.162368 0.235798 0.532271 O\n0.019677 0.561514 0.657498 O\n0.016263 0.437389 0.331248 O\n0.717813 0.346359 0.523335 O\n0.307029 0.633530 0.441775 O\n0.631659 0.789600 0.878472 O\n0.361216 0.185464 0.079536 O\n0.982281 0.753076 0.193062 O\n0.014183 0.264330 0.813572 O\n0.972192 0.090663 0.094121 O\n0.982916 0.922516 0.916174 O\n0.938408 0.053804 0.303765 O\n0.029899 0.956176 0.706829 O\n0.506404 0.561405 0.697521 O\n",
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"formula_full": "K1 Mg2 P2 H31 O23",
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"spacegroup": 1
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{
"id": "mp-570102",
"created_at": "2022-09-04T14:45:17.484948Z",
"structure_string": "Ho2 Si2 Ru4 C2\n1.0\n1.894855 -5.576166 0.000000\n1.894855 5.576166 0.000000\n0.000000 0.000000 7.149072\nHo Si Ru C\n2 2 4 2\ndirect\n0.546682 0.453318 0.250000 Ho\n0.453318 0.546682 0.750000 Ho\n0.268420 0.731580 0.250000 Si\n0.731580 0.268420 0.750000 Si\n0.836158 0.163842 0.443247 Ru\n0.163842 0.836158 0.943247 Ru\n0.163842 0.836158 0.556753 Ru\n0.836158 0.163842 0.056753 Ru\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
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"formula_full": "Ho2 Si2 Ru4 C2",
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},
{
"id": "mp-1191827",
"created_at": "2022-09-04T14:45:17.489091Z",
"structure_string": "Tb6 Al4 Ni12\n1.0\n-4.472685 4.472685 4.472685\n4.472685 -4.472685 4.472685\n4.472685 4.472685 -4.472685\nTb Al Ni\n6 4 12\ndirect\n0.705940 0.705940 0.000000 Tb\n0.294060 0.000000 0.294060 Tb\n0.000000 0.294060 0.294060 Tb\n0.294060 0.294060 0.000000 Tb\n0.705940 0.000000 0.705940 Tb\n0.000000 0.705940 0.705940 Tb\n0.000000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.333337 0.333337 0.666673 Ni\n0.666663 0.000000 0.333337 Ni\n0.000000 0.666663 0.333337 Ni\n0.666663 0.333337 0.000000 Ni\n0.333337 0.666673 0.333337 Ni\n0.000000 0.333337 0.666663 Ni\n0.333337 0.666663 0.000000 Ni\n0.333337 0.000000 0.666663 Ni\n0.666673 0.333337 0.333337 Ni\n0.666663 0.666663 0.333327 Ni\n0.666663 0.333327 0.666663 Ni\n0.333327 0.666663 0.666663 Ni\n",
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},
{
"id": "mp-30759",
"created_at": "2022-09-04T14:45:17.515187Z",
"structure_string": "Li1 Mg2 Tl1\n1.0\n0.000000 3.502481 3.502481\n3.502481 0.000000 3.502481\n3.502481 3.502481 0.000000\nLi Mg Tl\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Tl\n",
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},
{
"id": "mp-1214558",
"created_at": "2022-09-04T14:45:17.515470Z",
"structure_string": "Ba12 Tm4 Ga8 O30\n1.0\n6.007056 0.000000 0.000000\n0.000000 8.015020 0.000000\n0.000000 0.469912 18.577306\nBa Tm Ga O\n12 4 8 30\ndirect\n0.756416 0.498640 0.078178 Ba\n0.243584 0.501360 0.921822 Ba\n0.756416 0.501360 0.421822 Ba\n0.243584 0.498640 0.578178 Ba\n0.745900 0.973279 0.089077 Ba\n0.254100 0.026721 0.910923 Ba\n0.745900 0.026721 0.410923 Ba\n0.254100 0.973279 0.589077 Ba\n0.722341 0.000000 0.750000 Ba\n0.277659 0.000000 0.250000 Ba\n0.668785 0.500000 0.750000 Ba\n0.331215 0.500000 0.250000 Ba\n0.745611 0.751457 0.910292 Tm\n0.254389 0.248543 0.089708 Tm\n0.745611 0.248543 0.589708 Tm\n0.254389 0.751457 0.410292 Tm\n0.749206 0.754081 0.557926 Ga\n0.250794 0.245919 0.442074 Ga\n0.749206 0.245919 0.942074 Ga\n0.250794 0.754081 0.057926 Ga\n0.774010 0.769630 0.267164 Ga\n0.225990 0.230370 0.732836 Ga\n0.774010 0.230370 0.232836 Ga\n0.225990 0.769630 0.767164 Ga\n0.204491 0.000000 0.750000 O\n0.795509 0.000000 0.250000 O\n0.506413 0.765162 0.999258 O\n0.493587 0.234838 0.000742 O\n0.506413 0.234838 0.500742 O\n0.493587 0.765162 0.499258 O\n0.761041 0.955410 0.607179 O\n0.238959 0.044590 0.392821 O\n0.761041 0.044590 0.892821 O\n0.238959 0.955410 0.107179 O\n0.004843 0.763958 0.993478 O\n0.995157 0.236042 0.006522 O\n0.004843 0.236042 0.506522 O\n0.995157 0.763958 0.493478 O\n0.326506 0.687240 0.682697 O\n0.673494 0.312760 0.317303 O\n0.326506 0.312760 0.817303 O\n0.673494 0.687240 0.182697 O\n0.455711 0.749960 0.836330 O\n0.544289 0.250040 0.163670 O\n0.455711 0.250040 0.663670 O\n0.544289 0.749960 0.336330 O\n0.957390 0.725934 0.812525 O\n0.042610 0.274066 0.187475 O\n0.957390 0.274066 0.687475 O\n0.042610 0.725934 0.312525 O\n0.754824 0.530764 0.590735 O\n0.245176 0.469236 0.409265 O\n0.754824 0.469236 0.909265 O\n0.245176 0.530764 0.090735 O\n",
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"formula_full": "Ba12 Tm4 Ga8 O30",
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{
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"structure_string": "Pr1 Sm1 B12\n1.0\n5.843697 0.000000 0.000000\n0.000000 5.843697 0.000000\n0.000000 0.000000 4.132910\nPr Sm B\n1 1 12\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.000000 Sm\n0.000000 0.500000 0.199702 B\n0.500000 0.000000 0.199702 B\n0.150509 0.649940 0.500000 B\n0.649940 0.150509 0.500000 B\n0.150509 0.350060 0.500000 B\n0.649940 0.849491 0.500000 B\n0.849491 0.350060 0.500000 B\n0.350060 0.849491 0.500000 B\n0.849491 0.649940 0.500000 B\n0.350060 0.150509 0.500000 B\n0.000000 0.500000 0.800298 B\n0.500000 0.000000 0.800298 B\n",
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"formula_full": "Pr1 Sm1 B12",
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},
{
"id": "mp-863299",
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"structure_string": "Cs4 Co2 H24 S4 O28\n1.0\n12.978739 0.000000 0.000000\n0.000000 6.431573 0.000000\n0.000000 2.728622 8.959956\nCs Co H S O\n4 2 24 4 28\ndirect\n0.143588 0.148578 0.630610 Cs\n0.643588 0.851422 0.869390 Cs\n0.856412 0.851422 0.369390 Cs\n0.356412 0.148578 0.130610 Cs\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.400505 0.180223 0.716651 H\n0.900505 0.819777 0.783349 H\n0.599495 0.819777 0.283349 H\n0.099495 0.180223 0.216651 H\n0.370245 0.415382 0.737835 H\n0.870245 0.584618 0.762165 H\n0.629755 0.584618 0.262165 H\n0.129755 0.415382 0.237835 H\n0.402546 0.569389 0.227363 H\n0.902546 0.430611 0.272637 H\n0.597454 0.430611 0.772637 H\n0.097454 0.569389 0.727363 H\n0.315125 0.516115 0.350517 H\n0.815125 0.483885 0.149483 H\n0.684875 0.483885 0.649483 H\n0.184875 0.516115 0.850517 H\n0.558145 0.168718 0.397824 H\n0.058145 0.831282 0.102176 H\n0.441855 0.831282 0.602176 H\n0.941855 0.168718 0.897824 H\n0.638365 0.187273 0.519669 H\n0.138365 0.812727 0.980331 H\n0.361635 0.812727 0.480331 H\n0.861635 0.187273 0.019669 H\n0.352614 0.759980 0.898269 S\n0.852614 0.240020 0.601731 S\n0.647386 0.240020 0.101731 S\n0.147386 0.759980 0.398269 S\n0.262381 0.892242 0.918315 O\n0.762381 0.107758 0.581685 O\n0.737619 0.107758 0.081685 O\n0.237619 0.892242 0.418315 O\n0.416878 0.695992 0.035447 O\n0.916878 0.304008 0.464553 O\n0.583122 0.304008 0.964553 O\n0.083122 0.695992 0.535447 O\n0.417544 0.895959 0.772194 O\n0.917544 0.104041 0.727806 O\n0.582456 0.104041 0.227806 O\n0.082456 0.895959 0.272194 O\n0.315186 0.561688 0.859854 O\n0.815186 0.438312 0.640146 O\n0.684814 0.438312 0.140146 O\n0.184814 0.561688 0.359854 O\n0.389979 0.337690 0.664880 O\n0.889979 0.662310 0.835120 O\n0.610021 0.662310 0.335120 O\n0.110021 0.337690 0.164880 O\n0.388692 0.485305 0.332760 O\n0.888692 0.514695 0.167240 O\n0.611308 0.514695 0.667240 O\n0.111308 0.485305 0.832760 O\n0.563943 0.205609 0.493061 O\n0.063943 0.794391 0.006939 O\n0.436057 0.794391 0.506939 O\n0.936057 0.205609 0.993061 O\n",
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{
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{
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{
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}