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{
"id": "mp-568551",
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"structure_string": "Yb1 Cr2 Si2\n1.0\n-1.909570 1.909570 5.428560\n1.909570 -1.909570 5.428560\n1.909570 1.909570 -5.428560\nYb Cr Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.750000 0.250000 0.500000 Cr\n0.250000 0.750000 0.500000 Cr\n0.385180 0.385180 0.000000 Si\n0.614820 0.614820 0.000000 Si\n",
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{
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"structure_string": "Sr2 Mg12 Ni2\n1.0\n4.966138 0.000000 0.000000\n0.000000 6.035112 0.000000\n0.000000 0.000000 13.179617\nSr Mg Ni\n2 12 2\ndirect\n0.500000 0.500000 0.197501 Sr\n0.500000 0.000000 0.697501 Sr\n0.500000 0.246916 0.442168 Mg\n0.500000 0.753084 0.442168 Mg\n0.000000 0.763436 0.077844 Mg\n0.000000 0.236564 0.077844 Mg\n0.000000 0.000000 0.294101 Mg\n0.000000 0.500000 0.365777 Mg\n0.500000 0.746916 0.942168 Mg\n0.500000 0.253084 0.942168 Mg\n0.000000 0.263436 0.577844 Mg\n0.000000 0.736564 0.577844 Mg\n0.000000 0.500000 0.794101 Mg\n0.000000 0.000000 0.865777 Mg\n0.500000 0.000000 0.102594 Ni\n0.500000 0.500000 0.602594 Ni\n",
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"formula_full": "Sr2 Mg12 Ni2",
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{
"id": "mp-1207046",
"created_at": "2022-09-04T14:44:50.291059Z",
"structure_string": "U2 Sb1 Se2\n1.0\n2.851475 0.000000 0.000000\n0.000000 2.851475 0.000000\n0.000000 0.000000 16.975940\nU Sb Se\n2 1 2\ndirect\n0.500000 0.500000 0.191025 U\n0.500000 0.500000 0.808975 U\n0.500000 0.500000 0.000000 Sb\n0.500000 0.500000 0.643460 Se\n0.500000 0.500000 0.356540 Se\n",
"nsites": 5,
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"density": 9.091745824706013,
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"volume": 138.02983479882948,
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"formula_full": "U2 Sb1 Se2",
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"updated_at": "2021-11-28T01:36:44.288000Z",
"spacegroup": 123
},
{
"id": "mp-1027892",
"created_at": "2022-09-04T14:45:21.435143Z",
"structure_string": "Mg14 Co1 Sn1\n1.0\n6.273656 -0.003904 0.000000\n-3.140209 5.439001 0.000000\n0.000000 0.000000 10.126188\nMg Co Sn\n14 1 1\ndirect\n0.166639 0.333319 0.625000 Mg\n0.169445 0.834722 0.625000 Mg\n0.671819 0.337155 0.125000 Mg\n0.665815 0.330461 0.625000 Mg\n0.671819 0.834664 0.125000 Mg\n0.665815 0.835353 0.625000 Mg\n0.328073 0.172722 0.362422 Mg\n0.328073 0.172722 0.887578 Mg\n0.328073 0.655351 0.362422 Mg\n0.328073 0.655351 0.887578 Mg\n0.844745 0.172373 0.364627 Mg\n0.844745 0.172373 0.885373 Mg\n0.832957 0.666479 0.379171 Mg\n0.832957 0.666479 0.870829 Mg\n0.162237 0.331118 0.125000 Co\n0.158718 0.829359 0.125000 Sn\n",
"nsites": 16,
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"chemical_system": "Co-Mg-Sn",
"density": 2.489867902413131,
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"formula_full": "Mg14 Co1 Sn1",
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"spacegroup": 38
},
{
"id": "mp-1114124",
"created_at": "2022-09-04T14:40:06.598946Z",
"structure_string": "K1 Rb2 As1 Br6\n1.0\n0.000000 5.800749 5.800749\n5.800749 0.000000 5.800749\n5.800749 5.800749 0.000000\nK Rb As Br\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 As\n0.770435 0.229565 0.229565 Br\n0.229565 0.229565 0.770435 Br\n0.229565 0.770435 0.770435 Br\n0.229565 0.770435 0.229565 Br\n0.770435 0.229565 0.770435 Br\n0.770435 0.770435 0.229565 Br\n",
"nsites": 10,
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"elements": [
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"chemical_system": "As-Br-K-Rb",
"density": 3.2514412518765763,
"density_atomic": 0.02561638152048558,
"volume": 390.37519768367514,
"volume_molar": 23.50894389663918,
"formula_full": "K1 Rb2 As1 Br6",
"formula_reduced": "KRb2AsBr6",
"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:34:47.039000Z",
"spacegroup": 225
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{
"id": "mp-24081",
"created_at": "2022-09-04T14:42:25.581713Z",
"structure_string": "Sc2 H2 Cl2\n1.0\n9.296586 -1.755061 0.000000\n9.296586 1.755061 0.000000\n8.965256 0.000000 3.021744\nSc H Cl\n2 2 2\ndirect\n0.878659 0.878659 0.878659 Sc\n0.121341 0.121341 0.121341 Sc\n0.806369 0.806369 0.806369 H\n0.193631 0.193631 0.193631 H\n0.396422 0.396422 0.396422 Cl\n0.603578 0.603578 0.603578 Cl\n",
"nsites": 6,
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"elements": [
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"formula_full": "Sc2 H2 Cl2",
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"updated_at": "2021-11-28T01:35:46.386000Z",
"spacegroup": 166
},
{
"id": "mp-1213770",
"created_at": "2022-09-04T14:45:42.888874Z",
"structure_string": "Co1 H6 Cl2\n1.0\n3.145518 4.029564 0.000000\n-3.145518 4.029564 0.000000\n0.000000 1.100157 5.266632\nCo H Cl\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.056804 0.187513 0.726983 H\n0.943196 0.812487 0.273017 H\n0.812487 0.943196 0.273017 H\n0.187513 0.056804 0.726983 H\n0.452926 0.452926 0.518935 H\n0.547074 0.547074 0.481065 H\n0.785933 0.785933 0.821768 Cl\n0.214067 0.214067 0.178232 Cl\n",
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"volume": 133.50981738715188,
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"formula_full": "Co1 H6 Cl2",
"formula_reduced": "Co(H3Cl)2",
"formula_anonymous": "AB2C6",
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"spacegroup": 12
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{
"id": "mp-1229130",
"created_at": "2022-09-04T14:42:11.628326Z",
"structure_string": "Ag2 Bi2 Se1 S3\n1.0\n-2.824725 2.890686 5.785393\n2.824725 -2.890686 5.785393\n2.824725 2.890686 -5.785393\nAg Bi Se S\n2 2 1 3\ndirect\n0.995668 0.995668 0.000000 Ag\n0.250199 0.750199 0.500000 Ag\n0.505892 0.505892 0.000000 Bi\n0.751841 0.251841 0.500000 Bi\n0.248087 0.248087 0.000000 Se\n0.505443 0.005443 0.500000 S\n0.747321 0.747321 0.000000 S\n0.995549 0.495549 0.500000 S\n",
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"formula_full": "Ag2 Bi2 Se1 S3",
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{
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{
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"structure_string": "K2 Al1 Au1 Br6\n1.0\n0.000000 5.382125 5.382125\n5.382125 0.000000 5.382125\n5.382125 5.382125 0.000000\nK Al Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Au\n0.763582 0.236418 0.236418 Br\n0.236418 0.236418 0.763582 Br\n0.236418 0.763582 0.763582 Br\n0.236418 0.763582 0.236418 Br\n0.763582 0.236418 0.763582 Br\n0.763582 0.763582 0.236418 Br\n",
"nsites": 10,
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{
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{
"id": "mp-1113319",
"created_at": "2022-09-04T14:41:04.376516Z",
"structure_string": "Rb2 Hg1 As1 Cl6\n1.0\n0.000000 5.363964 5.363964\n5.363964 0.000000 5.363964\n5.363964 5.363964 0.000000\nRb Hg As Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 As\n0.765805 0.234195 0.234195 Cl\n0.234195 0.234195 0.765805 Cl\n0.234195 0.765805 0.765805 Cl\n0.234195 0.765805 0.234195 Cl\n0.765805 0.234195 0.765805 Cl\n0.765805 0.765805 0.234195 Cl\n",
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"volume": 308.66512227057444,
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}