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{
"id": "mp-554475",
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"structure_string": "La4 Nb8 Cl4 O24\n1.0\n7.408152 0.000000 0.000000\n0.000000 8.437921 0.000000\n0.000000 0.000000 9.957314\nLa Nb Cl O\n4 8 4 24\ndirect\n0.750000 0.310015 0.322356 La\n0.250000 0.689985 0.677644 La\n0.250000 0.810015 0.177644 La\n0.750000 0.189985 0.822356 La\n0.500000 0.000000 0.500000 Nb\n0.750000 0.732201 0.735653 Nb\n0.250000 0.232201 0.764347 Nb\n0.750000 0.767799 0.235653 Nb\n0.250000 0.267799 0.264347 Nb\n0.000000 0.500000 0.000000 Nb\n0.500000 0.500000 0.000000 Nb\n0.000000 0.000000 0.500000 Nb\n0.750000 0.073275 0.105235 Cl\n0.750000 0.426725 0.605235 Cl\n0.250000 0.926725 0.894765 Cl\n0.250000 0.573275 0.394765 Cl\n0.445105 0.200080 0.395894 O\n0.451744 0.114743 0.673815 O\n0.945105 0.700080 0.104106 O\n0.750000 0.420063 0.003234 O\n0.250000 0.084241 0.170825 O\n0.445105 0.299920 0.895894 O\n0.054895 0.200080 0.395894 O\n0.250000 0.579937 0.996766 O\n0.451744 0.385257 0.173815 O\n0.750000 0.079937 0.503234 O\n0.554895 0.700080 0.104106 O\n0.048256 0.385257 0.173815 O\n0.250000 0.920063 0.496766 O\n0.548256 0.614743 0.826185 O\n0.951744 0.614743 0.826185 O\n0.054895 0.299920 0.895894 O\n0.250000 0.415759 0.670825 O\n0.945105 0.799920 0.604106 O\n0.750000 0.584241 0.329175 O\n0.750000 0.915759 0.829175 O\n0.951744 0.885257 0.326185 O\n0.554895 0.799920 0.604106 O\n0.048256 0.114743 0.673815 O\n0.548256 0.885257 0.326185 O\n",
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{
"id": "mp-1176391",
"created_at": "2022-09-04T14:45:31.387289Z",
"structure_string": "Na8 Mn4 P4 C4 O28\n1.0\n6.727737 0.000000 0.000000\n-0.041388 10.214744 0.000000\n-0.021377 -5.103279 9.098598\nNa Mn P C O\n8 4 4 4 28\ndirect\n0.463883 0.989422 0.248146 Na\n0.008281 0.504955 0.746697 Na\n0.494863 0.500193 0.742430 Na\n0.504737 0.508375 0.262521 Na\n0.994563 0.507716 0.262223 Na\n0.505733 0.991636 0.743440 Na\n0.994400 0.990968 0.743299 Na\n0.767096 0.151747 0.083294 Na\n0.757987 0.718830 0.070942 Mn\n0.755453 0.208695 0.560312 Mn\n0.248781 0.788548 0.432430 Mn\n0.251716 0.283996 0.932606 Mn\n0.251463 0.640859 0.060142 P\n0.251699 0.146858 0.568809 P\n0.747825 0.856306 0.434566 P\n0.751027 0.359118 0.938531 P\n0.747614 0.829767 0.901158 C\n0.745427 0.322572 0.394674 C\n0.249594 0.672702 0.596923 C\n0.253155 0.174902 0.099375 C\n0.252427 0.603345 0.667276 O\n0.259409 0.111598 0.174219 O\n0.746618 0.899083 0.046809 O\n0.756458 0.393710 0.540166 O\n0.749142 0.685471 0.838494 O\n0.732407 0.178402 0.334945 O\n0.061848 0.710931 0.037846 O\n0.439087 0.723388 0.051500 O\n0.063910 0.229782 0.563236 O\n0.439811 0.228955 0.559690 O\n0.256063 0.980790 0.437508 O\n0.737554 0.866016 0.292405 O\n0.259843 0.472918 0.928079 O\n0.750375 0.366476 0.794150 O\n0.247889 0.635645 0.206905 O\n0.751819 0.525824 0.073036 O\n0.252637 0.135468 0.712990 O\n0.751305 0.022917 0.570939 O\n0.562349 0.776610 0.452274 O\n0.936047 0.776130 0.445083 O\n0.569046 0.274944 0.954385 O\n0.934204 0.275797 0.953136 O\n0.247995 0.818472 0.654164 O\n0.249578 0.321410 0.150829 O\n0.248120 0.602802 0.450571 O\n0.248721 0.100451 0.952246 O\n0.748437 0.908917 0.837838 O\n0.749504 0.391358 0.320976 O\n",
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{
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"structure_string": "Ba4 Ga8 Ge8 O32\n1.0\n10.071966 0.000000 0.000000\n0.000000 8.910949 0.000000\n0.000000 0.063503 9.480379\nBa Ga Ge O\n4 8 8 32\ndirect\n0.412570 0.749404 0.891197 Ba\n0.912570 0.250596 0.608803 Ba\n0.587430 0.250596 0.108803 Ba\n0.087430 0.749404 0.391197 Ba\n0.192527 0.429151 0.061740 Ga\n0.692527 0.570849 0.438260 Ga\n0.807473 0.570849 0.938260 Ga\n0.307473 0.429151 0.561740 Ga\n0.920359 0.067703 0.228734 Ga\n0.420359 0.932297 0.271266 Ga\n0.079641 0.932297 0.771266 Ga\n0.579641 0.067703 0.728734 Ga\n0.196838 0.062687 0.064274 Ge\n0.696838 0.937313 0.435726 Ge\n0.803162 0.937313 0.935726 Ge\n0.303162 0.062687 0.564274 Ge\n0.916924 0.436876 0.234772 Ge\n0.416924 0.563124 0.265228 Ge\n0.083076 0.563124 0.765228 Ge\n0.583076 0.436876 0.734772 Ge\n0.089516 0.992630 0.199387 O\n0.589516 0.007370 0.300613 O\n0.910484 0.007370 0.800613 O\n0.410484 0.992630 0.699387 O\n0.077293 0.506676 0.197235 O\n0.577293 0.493324 0.302765 O\n0.922707 0.493324 0.802765 O\n0.422707 0.506676 0.697235 O\n0.364671 0.057902 0.123118 O\n0.864671 0.942098 0.376882 O\n0.635329 0.942098 0.876882 O\n0.135329 0.057902 0.623118 O\n0.367339 0.442382 0.125606 O\n0.867339 0.557618 0.374394 O\n0.632661 0.557618 0.874394 O\n0.132661 0.442382 0.625606 O\n0.191773 0.930940 0.924571 O\n0.691773 0.069060 0.575429 O\n0.808227 0.069060 0.075429 O\n0.308227 0.930940 0.424571 O\n0.191904 0.563871 0.910337 O\n0.691904 0.436129 0.589663 O\n0.808096 0.436129 0.089663 O\n0.308096 0.563871 0.410337 O\n0.145689 0.240032 0.005137 O\n0.645689 0.759968 0.494863 O\n0.854311 0.759968 0.994863 O\n0.354311 0.240032 0.505137 O\n0.913158 0.255364 0.314170 O\n0.413158 0.744636 0.185830 O\n0.086842 0.744636 0.685830 O\n0.586842 0.255364 0.814170 O\n",
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"formula_full": "Ba4 Ga8 Ge8 O32",
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"updated_at": "2021-11-28T01:38:19.155000Z",
"spacegroup": 14
},
{
"id": "mp-729466",
"created_at": "2022-09-04T14:39:08.897786Z",
"structure_string": "Ce2 N16 O36\n1.0\n6.872000 0.000000 0.000000\n0.000000 8.363612 0.000000\n0.000000 8.098694 13.244558\nCe N O\n2 16 36\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.000000 0.500000 Ce\n0.231561 0.370038 0.659942 N\n0.268439 0.370038 0.159942 N\n0.768439 0.629962 0.340058 N\n0.731561 0.629962 0.840058 N\n0.262082 0.778204 0.181232 N\n0.237918 0.778204 0.681232 N\n0.737918 0.221796 0.818768 N\n0.762082 0.221796 0.318768 N\n0.275757 0.894912 0.885646 N\n0.224243 0.894912 0.385646 N\n0.724243 0.105088 0.114354 N\n0.775757 0.105088 0.614354 N\n0.250726 0.338930 0.946050 N\n0.249274 0.338930 0.446050 N\n0.749274 0.661070 0.053950 N\n0.750726 0.661070 0.553950 N\n0.281286 0.955133 0.119760 O\n0.218714 0.955133 0.619760 O\n0.718714 0.044867 0.880240 O\n0.781286 0.044867 0.380240 O\n0.111200 0.704302 0.167616 O\n0.388800 0.704302 0.667616 O\n0.888800 0.295698 0.832384 O\n0.611200 0.295698 0.332384 O\n0.381004 0.685570 0.248137 O\n0.118996 0.685570 0.748137 O\n0.618996 0.314430 0.751863 O\n0.881004 0.314430 0.251863 O\n0.295372 0.829474 0.980281 O\n0.204628 0.829474 0.480281 O\n0.704628 0.170526 0.019719 O\n0.795372 0.170526 0.519719 O\n0.127503 0.000707 0.844138 O\n0.372497 0.000707 0.344138 O\n0.872497 0.999293 0.155862 O\n0.627503 0.999293 0.655862 O\n0.391392 0.860044 0.837464 O\n0.108608 0.860044 0.337464 O\n0.608608 0.139956 0.162536 O\n0.891392 0.139956 0.662536 O\n0.282481 0.237293 0.908756 O\n0.217519 0.237293 0.408756 O\n0.717519 0.762707 0.091244 O\n0.782481 0.762707 0.591244 O\n0.094554 0.306929 0.996760 O\n0.405446 0.306929 0.496760 O\n0.905446 0.693071 0.003240 O\n0.594554 0.693071 0.503240 O\n0.365599 0.462205 0.934832 O\n0.134401 0.462205 0.434832 O\n0.634401 0.537795 0.065168 O\n0.865599 0.537795 0.565168 O\n",
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{
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"structure_string": "K4 Sr4 Gd4 W4 O24\n1.0\n8.421467 0.000000 0.000000\n0.000000 8.399166 0.000000\n0.000000 0.000000 8.400499\nK Sr Gd W O\n4 4 4 4 24\ndirect\n-0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.000000 -0.000000 K\n-0.000000 0.500000 0.000000 K\n0.500000 0.500000 0.000000 Sr\n-0.000000 0.000000 0.500000 Sr\n-0.000000 0.000000 -0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.750000 0.750000 0.750000 Gd\n0.250000 0.250000 0.750000 Gd\n0.250000 0.750000 0.250000 Gd\n0.750000 0.250000 0.250000 Gd\n0.250000 0.250000 0.250000 W\n0.750000 0.750000 0.250000 W\n0.750000 0.250000 0.750000 W\n0.250000 0.750000 0.750000 W\n0.019007 0.216180 0.271770 O\n0.980993 0.783820 0.271770 O\n0.980993 0.216180 0.728230 O\n0.019007 0.783820 0.728230 O\n0.264441 0.019964 0.225411 O\n0.264441 0.980036 0.774589 O\n0.735559 0.980036 0.225411 O\n0.735559 0.019964 0.774589 O\n0.226864 0.270089 0.019820 O\n0.773136 0.270089 0.980180 O\n0.226864 0.729911 0.980180 O\n0.773136 0.729911 0.019820 O\n0.480993 0.283820 0.228230 O\n0.519007 0.716180 0.228230 O\n0.519007 0.283820 0.771770 O\n0.480993 0.716180 0.771770 O\n0.235559 0.480036 0.274589 O\n0.235559 0.519964 0.725411 O\n0.764441 0.519964 0.274589 O\n0.764441 0.480036 0.725411 O\n0.273136 0.229911 0.480180 O\n0.726864 0.229911 0.519820 O\n0.273136 0.770089 0.519820 O\n0.726864 0.770089 0.480180 O\n",
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},
{
"id": "mp-705514",
"created_at": "2022-09-04T14:47:14.526472Z",
"structure_string": "Sb4 H4 C12 N12 Cl36\n1.0\n9.913125 0.000000 0.000000\n0.000000 13.399521 0.000000\n0.000000 7.291339 12.111017\nSb H C N Cl\n4 4 12 12 36\ndirect\n0.622025 0.755402 0.451971 Sb\n0.877975 0.755402 0.951971 Sb\n0.377975 0.244598 0.548029 Sb\n0.122025 0.244598 0.048029 Sb\n0.692937 0.063813 0.206384 H\n0.807063 0.063813 0.706384 H\n0.307063 0.936187 0.793616 H\n0.192937 0.936187 0.293616 H\n0.594587 0.328594 0.949286 C\n0.905413 0.328594 0.449286 C\n0.405413 0.671406 0.050714 C\n0.094587 0.671406 0.550714 C\n0.630076 0.238662 0.132411 C\n0.869924 0.238662 0.632411 C\n0.369924 0.761338 0.867589 C\n0.130076 0.761338 0.367589 C\n0.646298 0.137612 0.038326 C\n0.853702 0.137612 0.538326 C\n0.353702 0.862388 0.961674 C\n0.146298 0.862388 0.461674 C\n0.596766 0.334822 0.040761 N\n0.903234 0.334822 0.540761 N\n0.403234 0.665178 0.959239 N\n0.096766 0.665178 0.459239 N\n0.661596 0.138099 0.134243 N\n0.838404 0.138099 0.634243 N\n0.338404 0.861901 0.865757 N\n0.161596 0.861901 0.365757 N\n0.612666 0.231523 0.944873 N\n0.887334 0.231523 0.444873 N\n0.387334 0.768477 0.055127 N\n0.112666 0.768477 0.555127 N\n0.803695 0.888867 0.333572 Cl\n0.696305 0.888867 0.833572 Cl\n0.196305 0.111133 0.666428 Cl\n0.303695 0.111133 0.166428 Cl\n0.438935 0.635316 0.567086 Cl\n0.061065 0.635316 0.067086 Cl\n0.561065 0.364684 0.432914 Cl\n0.938935 0.364684 0.932914 Cl\n0.735154 0.737034 0.611298 Cl\n0.764846 0.737034 0.111298 Cl\n0.264846 0.262966 0.388702 Cl\n0.235154 0.262966 0.888702 Cl\n0.506584 0.926661 0.426537 Cl\n0.993416 0.926661 0.926537 Cl\n0.493416 0.073339 0.573463 Cl\n0.006584 0.073339 0.073463 Cl\n0.508365 0.777871 0.291725 Cl\n0.991635 0.777871 0.791725 Cl\n0.491635 0.222129 0.708275 Cl\n0.008365 0.222129 0.208275 Cl\n0.745449 0.593520 0.471721 Cl\n0.754551 0.593520 0.971721 Cl\n0.254551 0.406480 0.528279 Cl\n0.245449 0.406480 0.028279 Cl\n0.633339 0.235776 0.252642 Cl\n0.866661 0.235776 0.752642 Cl\n0.366661 0.764224 0.747358 Cl\n0.133339 0.764224 0.247358 Cl\n0.567326 0.453101 0.828808 Cl\n0.932674 0.453101 0.328808 Cl\n0.432674 0.546899 0.171192 Cl\n0.067326 0.546899 0.671192 Cl\n0.671712 0.011210 0.042781 Cl\n0.828288 0.011210 0.542781 Cl\n0.328288 0.988790 0.957219 Cl\n0.171712 0.988790 0.457219 Cl\n",
"nsites": 68,
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"elements": [
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],
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"formula_full": "Sb4 H4 C12 N12 Cl36",
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},
{
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