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{
"id": "mp-2176",
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{
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{
"id": "mp-30769",
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"structure_string": "Li13 Sn5\n1.0\n2.346264 -4.063849 0.000000\n2.346264 4.063849 0.000000\n0.000000 0.000000 17.089690\nLi Sn\n13 5\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.671641 Li\n0.000000 0.000000 0.328359 Li\n0.000000 0.000000 0.836472 Li\n0.000000 0.000000 0.163528 Li\n0.333333 0.666667 0.946695 Li\n0.666667 0.333333 0.053305 Li\n0.333333 0.666667 0.446228 Li\n0.666667 0.333333 0.553772 Li\n0.333333 0.666667 0.283718 Li\n0.666667 0.333333 0.716282 Li\n0.333333 0.666667 0.112039 Li\n0.666667 0.333333 0.887961 Li\n0.000000 0.000000 0.000000 Sn\n0.333333 0.666667 0.778272 Sn\n0.666667 0.333333 0.221728 Sn\n0.333333 0.666667 0.608037 Sn\n0.666667 0.333333 0.391963 Sn\n",
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},
{
"id": "mp-1103073",
"created_at": "2022-09-04T14:41:29.139166Z",
"structure_string": "Sb2 Br9\n1.0\n3.895951 -6.747985 0.000000\n3.895951 6.747985 0.000000\n0.000000 0.000000 9.320673\nSb Br\n2 9\ndirect\n0.333333 0.666667 0.186854 Sb\n0.666667 0.333333 0.813146 Sb\n0.000000 0.500000 0.000000 Br\n0.500000 0.000000 0.000000 Br\n0.500000 0.500000 0.000000 Br\n0.173987 0.826013 0.329224 Br\n0.652026 0.826013 0.329224 Br\n0.173987 0.347974 0.329224 Br\n0.826013 0.173987 0.670776 Br\n0.347974 0.173987 0.670776 Br\n0.826013 0.652026 0.670776 Br\n",
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{
"id": "mp-1183957",
"created_at": "2022-09-04T14:46:22.556906Z",
"structure_string": "Cs2 Ac6\n1.0\n4.218308 -7.306324 0.000000\n4.218308 7.306324 0.000000\n0.000000 0.000000 6.559171\nCs Ac\n2 6\ndirect\n0.333333 0.666667 0.750000 Cs\n0.666667 0.333333 0.250000 Cs\n0.159606 0.319212 0.250000 Ac\n0.680788 0.840394 0.250000 Ac\n0.159606 0.840394 0.250000 Ac\n0.840394 0.680788 0.750000 Ac\n0.319212 0.159606 0.750000 Ac\n0.840394 0.159606 0.750000 Ac\n",
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"updated_at": "2021-11-28T01:37:31.191000Z",
"spacegroup": 194
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{
"id": "mp-1110946",
"created_at": "2022-09-04T14:45:16.039917Z",
"structure_string": "K2 Cu1 Bi1 I6\n1.0\n0.000000 5.930298 5.930298\n5.930298 0.000000 5.930298\n5.930298 5.930298 0.000000\nK Cu Bi I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Bi\n0.739341 0.260659 0.260659 I\n0.260659 0.260659 0.739341 I\n0.260659 0.739341 0.739341 I\n0.260659 0.739341 0.260659 I\n0.739341 0.260659 0.739341 I\n0.739341 0.739341 0.260659 I\n",
"nsites": 10,
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"formula_full": "K2 Cu1 Bi1 I6",
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"formula_anonymous": "ABC2D6",
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{
"id": "mp-1017152",
"created_at": "2022-09-04T14:43:10.291795Z",
"structure_string": "Hf2 Mg12 Bi2\n1.0\n5.351966 0.000000 0.000000\n0.000000 6.172854 0.000000\n0.000000 0.000000 11.277810\nHf Mg Bi\n2 12 2\ndirect\n0.500000 0.500000 0.168068 Hf\n0.500000 0.000000 0.668068 Hf\n0.500000 0.252213 0.416857 Mg\n0.500000 0.747787 0.416857 Mg\n0.000000 0.739631 0.081345 Mg\n0.000000 0.260369 0.081345 Mg\n0.000000 0.000000 0.337944 Mg\n0.000000 0.500000 0.329909 Mg\n0.500000 0.752213 0.916857 Mg\n0.500000 0.247787 0.916857 Mg\n0.000000 0.239631 0.581345 Mg\n0.000000 0.760369 0.581345 Mg\n0.000000 0.500000 0.837944 Mg\n0.000000 0.000000 0.829909 Mg\n0.500000 0.000000 0.167671 Bi\n0.500000 0.500000 0.667671 Bi\n",
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"volume": 372.5839345439132,
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"formula_full": "Hf2 Mg12 Bi2",
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"spacegroup": 38
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{
"id": "mp-1187139",
"created_at": "2022-09-04T14:40:18.065603Z",
"structure_string": "Sr3 Zr1\n1.0\n5.539239 0.000000 0.000000\n0.000000 5.539239 0.000000\n0.000000 0.000000 5.539239\nSr Zr\n3 1\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Zr\n",
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{
"id": "mp-865879",
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"structure_string": "Li2 Ag1 Au1\n1.0\n0.000000 3.154724 3.154724\n3.154724 0.000000 3.154724\n3.154724 3.154724 0.000000\nLi Ag Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Au\n",
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{
"id": "mp-1074064",
"created_at": "2022-09-04T14:47:00.027324Z",
"structure_string": "Mg18 Si10\n1.0\n5.046747 0.000000 0.000000\n1.266010 7.776829 0.000000\n2.385793 1.186453 13.866534\nMg Si\n18 10\ndirect\n0.872716 0.910349 0.319665 Mg\n0.474746 0.923451 0.500801 Mg\n0.435583 0.705350 0.322521 Mg\n0.967086 0.153720 0.461998 Mg\n0.964822 0.508550 0.375201 Mg\n0.439751 0.502835 0.528876 Mg\n0.454499 0.903862 0.797030 Mg\n0.078078 0.475186 0.990102 Mg\n0.803221 0.138175 0.857316 Mg\n0.237440 0.089855 0.985229 Mg\n0.654726 0.506079 0.838142 Mg\n0.503200 0.695488 0.011105 Mg\n0.170945 0.618859 0.736408 Mg\n0.923745 0.244109 0.192853 Mg\n0.909500 0.351982 0.646060 Mg\n0.712030 0.964443 0.098678 Mg\n0.981258 0.970260 0.661299 Mg\n0.388691 0.438823 0.191853 Mg\n0.294027 0.270548 0.794442 Si\n0.456765 0.179995 0.627197 Si\n0.004712 0.768992 0.499362 Si\n0.903001 0.631955 0.179069 Si\n0.972858 0.799150 0.901908 Si\n0.360209 0.073646 0.283725 Si\n0.613856 0.310091 0.023307 Si\n0.206345 0.869235 0.155248 Si\n0.521924 0.308535 0.369609 Si\n0.694116 0.686049 0.651318 Si\n",
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"formula_full": "Mg18 Si10",
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{
"id": "mp-1074844",
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"structure_string": "Mg14 Si8\n1.0\n5.111995 0.000000 0.000000\n-0.024629 5.945737 0.000000\n-2.327281 -0.970139 14.097782\nMg Si\n14 8\ndirect\n0.316725 0.863300 0.889958 Mg\n0.912729 0.571003 0.641131 Mg\n0.354535 0.426263 0.526297 Mg\n0.265319 0.102162 0.704228 Mg\n0.315182 0.367998 0.894201 Mg\n0.215305 0.655055 0.303505 Mg\n0.202054 0.158100 0.303040 Mg\n0.289090 0.920485 0.506346 Mg\n0.843751 0.625152 0.953684 Mg\n0.845158 0.126527 0.975237 Mg\n0.395526 0.148794 0.101384 Mg\n0.439204 0.649425 0.102029 Mg\n0.759316 0.702696 0.429762 Mg\n0.806152 0.208117 0.445021 Mg\n0.954229 0.863739 0.137203 Si\n0.782669 0.302551 0.789081 Si\n0.454268 0.586847 0.726809 Si\n0.688746 0.390416 0.266310 Si\n0.945824 0.432848 0.135316 Si\n0.791422 0.887307 0.788030 Si\n0.746851 0.055229 0.620633 Si\n0.679546 0.955894 0.264484 Si\n",
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{
"id": "mp-23738",
"created_at": "2022-09-04T14:44:57.262654Z",
"structure_string": "Rb6 Mg6 H18\n1.0\n2.964353 -5.134410 0.000000\n2.964353 5.134410 0.000000\n0.000000 0.000000 14.372808\nRb Mg H\n6 6 18\ndirect\n0.000000 0.000000 0.750000 Rb\n0.000000 0.000000 0.250000 Rb\n0.333333 0.666667 0.404817 Rb\n0.666667 0.333333 0.904817 Rb\n0.666667 0.333333 0.595183 Rb\n0.333333 0.666667 0.095183 Rb\n0.333333 0.666667 0.845799 Mg\n0.666667 0.333333 0.345799 Mg\n0.666667 0.333333 0.154201 Mg\n0.333333 0.666667 0.654201 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.476297 0.952595 0.750000 H\n0.523703 0.476297 0.250000 H\n0.952595 0.476297 0.250000 H\n0.047405 0.523703 0.750000 H\n0.476297 0.523703 0.750000 H\n0.523703 0.047405 0.250000 H\n0.165848 0.834152 0.920142 H\n0.165848 0.331697 0.920142 H\n0.668303 0.834152 0.920142 H\n0.331697 0.165848 0.420142 H\n0.834152 0.668303 0.079858 H\n0.834152 0.165848 0.420142 H\n0.165848 0.331697 0.579858 H\n0.834152 0.165848 0.079858 H\n0.331697 0.165848 0.079858 H\n0.668303 0.834152 0.579858 H\n0.165848 0.834152 0.579858 H\n0.834152 0.668303 0.420142 H\n",
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"updated_at": "2021-11-28T01:36:47.008000Z",
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}
]
}