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{
"id": "mp-559231",
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"structure_string": "Se16 S8 N16 Cl16\n1.0\n7.603872 0.000000 0.000000\n0.000000 10.877002 0.000000\n0.000000 0.000000 17.223629\nSe S N Cl\n16 8 16 16\ndirect\n0.716067 0.144880 0.073657 Se\n0.862270 0.450096 0.398037 Se\n0.637730 0.450096 0.898037 Se\n0.283933 0.855120 0.926343 Se\n0.716067 0.644880 0.426343 Se\n0.783933 0.644880 0.926343 Se\n0.362270 0.049904 0.398037 Se\n0.137730 0.549904 0.601963 Se\n0.216067 0.355120 0.073657 Se\n0.862270 0.950096 0.101963 Se\n0.783933 0.144880 0.573657 Se\n0.283933 0.355120 0.573657 Se\n0.362270 0.549904 0.101963 Se\n0.637730 0.950096 0.601963 Se\n0.216067 0.855120 0.426343 Se\n0.137730 0.049904 0.898037 Se\n0.790261 0.605392 0.261886 S\n0.209739 0.894608 0.761886 S\n0.290261 0.394608 0.238114 S\n0.709739 0.105392 0.738114 S\n0.709739 0.605392 0.761886 S\n0.790261 0.105392 0.238114 S\n0.290261 0.894608 0.261886 S\n0.209739 0.394608 0.738114 S\n0.377742 0.015692 0.295080 N\n0.877742 0.984308 0.204920 N\n0.206047 0.311947 0.174337 N\n0.293953 0.811947 0.825663 N\n0.706047 0.188053 0.174337 N\n0.706047 0.688053 0.325663 N\n0.793953 0.688053 0.825663 N\n0.293953 0.311947 0.674337 N\n0.206047 0.811947 0.325663 N\n0.622258 0.484308 0.795080 N\n0.122258 0.015692 0.795080 N\n0.793953 0.188053 0.674337 N\n0.122258 0.515692 0.704920 N\n0.877742 0.484308 0.295080 N\n0.622258 0.984308 0.704920 N\n0.377742 0.515692 0.204920 N\n0.320211 0.537819 0.933487 Cl\n0.895659 0.821412 0.612540 Cl\n0.679789 0.962181 0.433487 Cl\n0.395659 0.178588 0.887460 Cl\n0.179789 0.537819 0.433487 Cl\n0.179789 0.037819 0.066513 Cl\n0.604341 0.821412 0.112540 Cl\n0.320211 0.037819 0.566513 Cl\n0.820211 0.462181 0.566513 Cl\n0.395659 0.678588 0.612540 Cl\n0.104341 0.678588 0.112540 Cl\n0.604341 0.321412 0.387460 Cl\n0.820211 0.962181 0.933487 Cl\n0.104341 0.178588 0.387460 Cl\n0.679789 0.462181 0.066513 Cl\n0.895659 0.321412 0.887460 Cl\n",
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"spacegroup": 61
},
{
"id": "mp-1184569",
"created_at": "2022-09-04T14:39:09.125394Z",
"structure_string": "Hg1\n1.0\n2.360017 -2.156525 0.000000\n2.360017 2.156525 0.000000\n0.389438 0.000000 3.173109\nHg\n1\ndirect\n0.500000 0.500000 0.500000 Hg\n",
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{
"id": "mp-541101",
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"structure_string": "Ho2 H36 C6 S6 O36 F18\n1.0\n6.853739 -11.871025 0.000000\n6.853739 11.871025 0.000000\n0.000000 0.000000 7.525894\nHo H C S O F\n2 36 6 6 36 18\ndirect\n0.333333 0.666667 0.250000 Ho\n0.666667 0.333333 0.750000 Ho\n0.099184 0.449165 0.355755 H\n0.650019 0.099184 0.855755 H\n0.449165 0.349981 0.855755 H\n0.550835 0.650019 0.355755 H\n0.349981 0.900816 0.355755 H\n0.900816 0.550835 0.855755 H\n0.900816 0.550835 0.644245 H\n0.349981 0.900816 0.144245 H\n0.550835 0.650019 0.144245 H\n0.449165 0.349981 0.644245 H\n0.650019 0.099184 0.644245 H\n0.099184 0.449165 0.144245 H\n0.362591 0.492110 0.448477 H\n0.870480 0.362591 0.948477 H\n0.492110 0.129520 0.948477 H\n0.507890 0.870480 0.448477 H\n0.129520 0.637409 0.448477 H\n0.637409 0.507890 0.948477 H\n0.637409 0.507890 0.551523 H\n0.129520 0.637409 0.051523 H\n0.507890 0.870480 0.051523 H\n0.492110 0.129520 0.551523 H\n0.870480 0.362591 0.551523 H\n0.362591 0.492110 0.051523 H\n0.279778 0.512860 0.567744 H\n0.766918 0.279778 0.067744 H\n0.512860 0.233082 0.067744 H\n0.487140 0.766918 0.567744 H\n0.233082 0.720222 0.567744 H\n0.720222 0.487140 0.067744 H\n0.720222 0.487140 0.432256 H\n0.233082 0.720222 0.932256 H\n0.487140 0.766918 0.932256 H\n0.512860 0.233082 0.432256 H\n0.766918 0.279778 0.432256 H\n0.279778 0.512860 0.932256 H\n0.231616 0.204793 0.250000 C\n0.026823 0.231616 0.750000 C\n0.204793 0.973177 0.750000 C\n0.795207 0.026823 0.250000 C\n0.973177 0.768384 0.250000 C\n0.768384 0.795207 0.750000 C\n0.383590 0.316604 0.250000 S\n0.066986 0.383590 0.750000 S\n0.316604 0.933014 0.750000 S\n0.683396 0.066986 0.250000 S\n0.933014 0.616410 0.250000 S\n0.616410 0.683396 0.750000 S\n0.143571 0.487817 0.250000 O\n0.655754 0.143571 0.750000 O\n0.487817 0.344246 0.750000 O\n0.512183 0.655754 0.250000 O\n0.344246 0.856429 0.250000 O\n0.856429 0.512183 0.750000 O\n0.337220 0.546522 0.473226 O\n0.790698 0.337220 0.973226 O\n0.546522 0.209302 0.973226 O\n0.453478 0.790698 0.473226 O\n0.209302 0.662780 0.473226 O\n0.662780 0.453478 0.973226 O\n0.662780 0.453478 0.526774 O\n0.209302 0.662780 0.026774 O\n0.453478 0.790698 0.026774 O\n0.546522 0.209302 0.526774 O\n0.790698 0.337220 0.526774 O\n0.337220 0.546522 0.026774 O\n0.443692 0.252991 0.250000 O\n0.190701 0.443692 0.750000 O\n0.252991 0.809299 0.750000 O\n0.747009 0.190701 0.250000 O\n0.809299 0.556308 0.250000 O\n0.556308 0.747009 0.750000 O\n0.397415 0.379350 0.414410 O\n0.018065 0.397415 0.914410 O\n0.379350 0.981935 0.914410 O\n0.620650 0.018065 0.414410 O\n0.981935 0.602585 0.414410 O\n0.602585 0.620650 0.914410 O\n0.602585 0.620650 0.585590 O\n0.981935 0.602585 0.085590 O\n0.620650 0.018065 0.085590 O\n0.379350 0.981935 0.585590 O\n0.018065 0.397415 0.585590 O\n0.397415 0.379350 0.085590 O\n0.166634 0.253401 0.250000 F\n0.913232 0.166634 0.750000 F\n0.253401 0.086768 0.750000 F\n0.746599 0.913232 0.250000 F\n0.086768 0.833366 0.250000 F\n0.833366 0.746599 0.750000 F\n0.207601 0.139305 0.395866 F\n0.068297 0.207601 0.895866 F\n0.139305 0.931703 0.895866 F\n0.860695 0.068297 0.395866 F\n0.931703 0.792399 0.395866 F\n0.792399 0.860695 0.895866 F\n0.792399 0.860695 0.604134 F\n0.931703 0.792399 0.104134 F\n0.860695 0.068297 0.104134 F\n0.139305 0.931703 0.604134 F\n0.068297 0.207601 0.604134 F\n0.207601 0.139305 0.104134 F\n",
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"formula_full": "Ho2 H36 C6 S6 O36 F18",
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{
"id": "mp-38089",
"created_at": "2022-09-04T14:39:09.130246Z",
"structure_string": "Na20 Mn8 O18\n1.0\n5.642099 6.851851 0.000000\n-5.642099 6.851851 0.000000\n0.000000 2.435758 8.567578\nNa Mn O\n20 8 18\ndirect\n0.737550 0.268926 0.019859 Na\n0.438002 0.122922 0.111247 Na\n0.122922 0.438002 0.111247 Na\n0.730463 0.990943 0.269083 Na\n0.990943 0.730463 0.269083 Na\n0.540142 0.798639 0.186799 Na\n0.798639 0.540142 0.186799 Na\n0.139033 0.139033 0.446245 Na\n0.836610 0.219225 0.388694 Na\n0.219225 0.836610 0.388694 Na\n0.499323 0.499323 0.500559 Na\n0.995733 0.260744 0.735154 Na\n0.144941 0.699499 0.746763 Na\n0.699499 0.144941 0.746763 Na\n0.883930 0.883930 0.564292 Na\n0.281799 0.281799 0.847476 Na\n0.260744 0.995733 0.735154 Na\n0.877817 0.550241 0.864761 Na\n0.550241 0.877817 0.864761 Na\n0.268926 0.737550 0.019859 Na\n0.087571 0.087571 0.092474 Mn\n0.468225 0.468225 0.174320 Mn\n0.474215 0.167069 0.465812 Mn\n0.167069 0.474215 0.465812 Mn\n0.534124 0.828337 0.530738 Mn\n0.828337 0.534124 0.530738 Mn\n0.530103 0.530103 0.839518 Mn\n0.900445 0.900445 0.928679 Mn\n0.012319 0.692184 0.012577 O\n0.692184 0.012319 0.012577 O\n0.615385 0.615385 0.007776 O\n0.302894 0.615006 0.295969 O\n0.615006 0.302894 0.295969 O\n0.993108 0.401757 0.377533 O\n0.401757 0.993108 0.377533 O\n0.697100 0.697100 0.384074 O\n0.001440 0.001440 0.710544 O\n0.990697 0.990697 0.306952 O\n0.276801 0.276801 0.593132 O\n0.624529 0.002839 0.596509 O\n0.002839 0.624529 0.596509 O\n0.717139 0.398290 0.720246 O\n0.398290 0.717139 0.720246 O\n0.388338 0.388338 0.006576 O\n0.999493 0.299712 0.984749 O\n0.299712 0.999493 0.984749 O\n",
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{
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"structure_string": "Sr1 Co2 Ge2\n1.0\n-2.016675 2.016675 5.492057\n2.016675 -2.016675 5.492057\n2.016675 2.016675 -5.492057\nSr Co Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.500000 Co\n0.250000 0.750000 0.500000 Co\n0.640984 0.640984 0.000000 Ge\n0.359016 0.359016 0.000000 Ge\n",
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{
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{
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"structure_string": "Rb10 Nb6 O2 F36\n1.0\n-7.911308 7.911308 3.986861\n7.911308 -7.911308 3.986861\n7.911308 7.911308 -3.986861\nRb Nb O F\n10 6 2 36\ndirect\n0.237171 0.737171 0.500000 Rb\n0.737171 0.237171 0.500000 Rb\n0.188258 0.881536 0.139682 Rb\n0.048575 0.188258 0.306722 Rb\n0.881536 0.741853 0.693278 Rb\n0.741853 0.048575 0.860318 Rb\n0.381536 0.688258 0.139682 Rb\n0.548575 0.241853 0.860318 Rb\n0.688258 0.548575 0.306722 Rb\n0.241853 0.381536 0.693278 Rb\n0.344023 0.156362 0.500000 Nb\n0.844023 0.344023 0.187662 Nb\n0.156362 0.656362 0.812338 Nb\n0.656362 0.844023 0.500000 Nb\n0.733625 0.733625 0.000000 Nb\n0.233625 0.233625 0.000000 Nb\n0.007085 0.007085 0.000000 O\n0.507085 0.507085 0.000000 O\n0.607776 0.379071 0.500000 F\n0.107776 0.607776 0.228705 F\n0.379071 0.879071 0.771295 F\n0.879071 0.107776 0.500000 F\n0.011427 0.621771 0.669925 F\n0.341502 0.011427 0.389656 F\n0.621771 0.951846 0.610344 F\n0.951846 0.341502 0.330075 F\n0.121771 0.511427 0.669925 F\n0.841502 0.451846 0.330075 F\n0.511427 0.841502 0.389656 F\n0.451846 0.121771 0.610344 F\n0.399556 0.608223 0.500000 F\n0.899556 0.399556 0.791333 F\n0.608223 0.108223 0.208667 F\n0.108223 0.899556 0.500000 F\n0.649091 0.719376 0.840146 F\n0.808945 0.649091 0.929715 F\n0.719376 0.879230 0.070285 F\n0.879230 0.808945 0.159854 F\n0.219376 0.149091 0.840146 F\n0.308945 0.379230 0.159854 F\n0.149091 0.308945 0.929715 F\n0.379230 0.219376 0.070285 F\n0.801004 0.459803 0.123201 F\n0.677803 0.801004 0.341201 F\n0.459803 0.336602 0.658799 F\n0.336602 0.677803 0.876799 F\n0.959803 0.301004 0.123201 F\n0.177803 0.836602 0.876799 F\n0.301004 0.177803 0.341201 F\n0.836602 0.959803 0.658799 F\n0.659698 0.678849 0.500000 F\n0.159698 0.659698 0.980849 F\n0.678849 0.178849 0.019151 F\n0.178849 0.159698 0.500000 F\n",
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{
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