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{
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{
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"structure_string": "Sm9 Ga4\n1.0\n4.830731 0.000000 1.453592\n2.415365 8.385229 0.726797\n-0.000781 0.000000 8.756386\nSm Ga\n9 4\ndirect\n0.500000 -0.000000 -0.000000 Sm\n0.122468 0.283271 0.471793 Sm\n0.594261 0.528207 0.283271 Sm\n0.405738 0.471793 0.716730 Sm\n0.877531 0.716730 0.528208 Sm\n0.186367 0.922017 0.705248 Sm\n0.891614 0.294753 0.922017 Sm\n0.108385 0.705247 0.077984 Sm\n0.813632 0.077983 0.294753 Sm\n0.388385 0.880101 0.343129 Ga\n0.731513 0.656872 0.880101 Ga\n0.268486 0.343128 0.119899 Ga\n0.611614 0.119899 0.656872 Ga\n",
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"structure_string": "Sm8 Si4 Te4 O16\n1.0\n6.273321 0.000000 0.000000\n0.000000 7.136894 0.000000\n0.000000 0.000000 11.174059\nSm Si Te O\n8 4 4 16\ndirect\n0.389131 0.750000 0.500000 Sm\n0.389131 0.750000 0.000000 Sm\n0.610868 0.250000 0.500000 Sm\n0.610868 0.250000 0.000000 Sm\n0.886786 0.964835 0.750000 Sm\n0.886786 0.535164 0.250000 Sm\n0.113214 0.464835 0.750000 Sm\n0.113214 0.035164 0.250000 Sm\n0.112544 0.250000 0.000000 Si\n0.887456 0.750000 0.000000 Si\n0.887456 0.750000 0.500000 Si\n0.112544 0.250000 0.500000 Si\n0.402612 0.082286 0.750000 Te\n0.402612 0.417713 0.250000 Te\n0.597388 0.582286 0.750000 Te\n0.597388 0.917713 0.250000 Te\n0.948353 0.266276 0.383402 O\n0.948353 0.233724 0.616598 O\n0.948353 0.233724 0.883402 O\n0.948353 0.266276 0.116598 O\n0.051647 0.766275 0.116598 O\n0.051647 0.766275 0.383402 O\n0.270339 0.074083 0.035422 O\n0.270339 0.425917 0.964578 O\n0.729660 0.925916 0.535422 O\n0.729660 0.925916 0.964578 O\n0.729660 0.574083 0.035422 O\n0.270339 0.425917 0.535422 O\n0.270339 0.074083 0.464578 O\n0.051647 0.733724 0.883402 O\n0.729660 0.574083 0.464578 O\n0.051647 0.733724 0.616598 O\n",
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{
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"created_at": "2022-09-04T14:36:57.276344Z",
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"structure_string": "Sm8 Se8 O4\n1.0\n4.003201 0.000000 0.000000\n-0.000000 7.142835 0.000000\n0.000000 0.000000 16.331265\nSm Se O\n8 8 4\ndirect\n0.250000 0.699541 0.038696 Sm\n0.250000 0.259553 0.162498 Sm\n0.750000 0.759553 0.337502 Sm\n0.750000 0.199541 0.461304 Sm\n0.250000 0.800460 0.538696 Sm\n0.250000 0.240447 0.662498 Sm\n0.750000 0.740448 0.837502 Sm\n0.750000 0.300459 0.961304 Sm\n0.250000 0.989823 0.900209 Se\n0.250000 0.447233 0.820683 Se\n0.750000 0.947233 0.679317 Se\n0.750000 0.489823 0.599792 Se\n0.750000 0.552768 0.179317 Se\n0.250000 0.052767 0.320683 Se\n0.750000 0.010178 0.099792 Se\n0.250000 0.510178 0.400208 Se\n0.250000 0.128507 0.530534 O\n0.250000 0.371493 0.030534 O\n0.750000 0.871493 0.469466 O\n0.750000 0.628508 0.969466 O\n",
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"structure_string": "Sm8 Se8 O4\n1.0\n0.000000 7.248014 0.021985\n7.224709 0.000000 0.000000\n0.000000 -1.534455 -8.596650\nSm Se O\n8 8 4\ndirect\n0.247733 0.448266 0.857176 Sm\n0.747733 0.051734 0.857176 Sm\n0.328828 0.849623 0.573142 Sm\n0.828828 0.650377 0.573142 Sm\n0.171171 0.349623 0.426858 Sm\n0.671171 0.150377 0.426859 Sm\n0.252266 0.948266 0.142825 Sm\n0.752266 0.551735 0.142825 Sm\n0.529754 0.220495 0.077260 Se\n0.029754 0.279505 0.077260 Se\n0.925151 0.875037 0.317369 Se\n0.425151 0.624963 0.317369 Se\n0.970245 0.720495 0.922741 Se\n0.074848 0.124963 0.682632 Se\n0.470245 0.779505 0.922740 Se\n0.574848 0.375037 0.682632 Se\n0.350003 0.085018 0.386383 O\n0.149996 0.585018 0.613617 O\n0.649995 0.914982 0.613617 O\n0.850003 0.414982 0.386384 O\n",
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"structure_string": "Sm8 Se12\n1.0\n4.109688 -0.000000 0.000000\n-0.000000 11.072796 0.000000\n0.000000 0.000000 11.358939\nSm Se\n8 12\ndirect\n0.250000 0.998073 0.694034 Sm\n0.750000 0.001928 0.305966 Sm\n0.750000 0.498072 0.805966 Sm\n0.250000 0.501928 0.194034 Sm\n0.250000 0.312918 0.512478 Sm\n0.750000 0.687083 0.487522 Sm\n0.750000 0.812918 0.987522 Sm\n0.250000 0.187083 0.012478 Sm\n0.750000 0.698907 0.227661 Se\n0.250000 0.301093 0.772339 Se\n0.250000 0.625195 0.955059 Se\n0.750000 0.374806 0.044941 Se\n0.750000 0.125194 0.544941 Se\n0.250000 0.943731 0.119858 Se\n0.750000 0.443731 0.380142 Se\n0.250000 0.556269 0.619858 Se\n0.750000 0.801094 0.727661 Se\n0.750000 0.056269 0.880143 Se\n0.250000 0.874806 0.455059 Se\n0.250000 0.198907 0.272339 Se\n",
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"chemical_system": "C-Re-Sm",
"density": 9.628625935074334,
"density_atomic": 0.05674246237628165,
"volume": 352.46972306862733,
"volume_molar": 10.613111429787462,
"formula_full": "Sm8 Re4 C8",
"formula_reduced": "Sm2ReC2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.61509715,
"spacegroup": 62
}
]
}