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"results": [
{
"id": "mp-1200206",
"created_at": "2022-09-04T14:44:59.777579Z",
"structure_string": "Rb4 U12 Pd8 S34\n1.0\n10.312406 0.000000 0.000000\n0.000000 10.312406 0.000000\n0.000000 0.000000 12.714583\nRb U Pd S\n4 12 8 34\ndirect\n0.500000 0.500000 0.215549 Rb\n0.000000 0.000000 0.715549 Rb\n0.500000 0.500000 0.784451 Rb\n0.000000 0.000000 0.284451 Rb\n0.618249 0.738779 0.500000 U\n0.381751 0.261221 0.500000 U\n0.881751 0.238779 0.000000 U\n0.118249 0.761221 0.000000 U\n0.738779 0.381751 0.500000 U\n0.261221 0.618249 0.500000 U\n0.238779 0.118249 0.000000 U\n0.761221 0.881751 0.000000 U\n0.000000 0.500000 0.250000 U\n0.500000 0.000000 0.750000 U\n0.500000 0.000000 0.250000 U\n0.000000 0.500000 0.750000 U\n0.936035 0.638519 0.500000 Pd\n0.063965 0.361481 0.500000 Pd\n0.563965 0.138519 0.000000 Pd\n0.436035 0.861481 0.000000 Pd\n0.638519 0.063965 0.500000 Pd\n0.361481 0.936035 0.500000 Pd\n0.138519 0.436035 0.000000 Pd\n0.861481 0.563965 0.000000 Pd\n0.775623 0.589845 0.367340 S\n0.224377 0.410155 0.367340 S\n0.724377 0.089845 0.867340 S\n0.275623 0.910155 0.867340 S\n0.589845 0.224377 0.367340 S\n0.410155 0.775623 0.367340 S\n0.089845 0.275623 0.867340 S\n0.910155 0.724377 0.867340 S\n0.224377 0.410155 0.632660 S\n0.775623 0.589845 0.632660 S\n0.275623 0.910155 0.132660 S\n0.724377 0.089845 0.132660 S\n0.410155 0.775623 0.632660 S\n0.589845 0.224377 0.632660 S\n0.910155 0.724377 0.132660 S\n0.089845 0.275623 0.132660 S\n0.581580 0.793490 0.133685 S\n0.418420 0.206510 0.133685 S\n0.918420 0.293490 0.633685 S\n0.081580 0.706510 0.633685 S\n0.793490 0.418420 0.133685 S\n0.206510 0.581580 0.133685 S\n0.293490 0.081580 0.633685 S\n0.706510 0.918420 0.633685 S\n0.418420 0.206510 0.866315 S\n0.581580 0.793490 0.866315 S\n0.081580 0.706510 0.366315 S\n0.918420 0.293490 0.366315 S\n0.206510 0.581580 0.866315 S\n0.793490 0.418420 0.866315 S\n0.706510 0.918420 0.366315 S\n0.293490 0.081580 0.366315 S\n0.500000 0.500000 0.500000 S\n0.000000 0.000000 0.000000 S\n",
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],
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"formula_full": "Rb4 U12 Pd8 S34",
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"energy": -405.65528818,
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"updated_at": "2021-11-28T01:36:46.063000Z",
"spacegroup": 128
},
{
"id": "mp-1192150",
"created_at": "2022-09-04T14:42:46.397766Z",
"structure_string": "Rb4 U2 Pd6 Se12\n1.0\n0.000000 7.804669 8.781104\n5.073585 0.000000 8.781104\n5.073585 7.804669 0.000000\nRb U Pd Se\n4 2 6 12\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.307029 0.692971 0.307029 Rb\n0.692971 0.307029 0.692971 Rb\n0.831796 0.831796 0.168204 U\n0.168204 0.168204 0.831796 U\n0.504895 0.173147 0.495105 Pd\n0.826853 0.495105 0.173147 Pd\n0.495105 0.826853 0.504895 Pd\n0.173147 0.504895 0.826853 Pd\n0.831914 0.168086 0.168086 Pd\n0.168086 0.831914 0.831914 Pd\n0.822651 0.973528 0.399112 Se\n0.804709 0.399112 0.973528 Se\n0.399112 0.804709 0.822651 Se\n0.973528 0.822651 0.804709 Se\n0.177349 0.026472 0.600888 Se\n0.195291 0.600888 0.026472 Se\n0.600888 0.195291 0.177349 Se\n0.026472 0.177349 0.195291 Se\n0.812055 0.593036 0.406964 Se\n0.187945 0.406964 0.593036 Se\n0.406964 0.187945 0.812055 Se\n0.593036 0.812055 0.187945 Se\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Pd-Rb-Se-U",
"density": 5.7402316346776505,
"density_atomic": 0.034511409380122385,
"volume": 695.4221931551522,
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"formula_full": "Rb4 U2 Pd6 Se12",
"formula_reduced": "Rb2U(PdSe2)3",
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"energy": -126.01254093,
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"updated_at": "2021-11-28T01:35:49.529000Z",
"spacegroup": 69
},
{
"id": "mp-1202036",
"created_at": "2022-09-04T14:45:27.594197Z",
"structure_string": "Rb4 U12 Pd8 Se34\n1.0\n10.729967 0.000000 0.000000\n0.000000 10.729967 0.000000\n0.000000 0.000000 13.432176\nRb U Pd Se\n4 12 8 34\ndirect\n0.500000 0.500000 0.220951 Rb\n0.000000 0.000000 0.720951 Rb\n0.500000 0.500000 0.779049 Rb\n0.000000 0.000000 0.279049 Rb\n0.617713 0.740858 0.500000 U\n0.382287 0.259142 0.500000 U\n0.882287 0.240858 0.000000 U\n0.117713 0.759142 0.000000 U\n0.740858 0.382287 0.500000 U\n0.259142 0.617713 0.500000 U\n0.240858 0.117713 0.000000 U\n0.759142 0.882287 0.000000 U\n0.000000 0.500000 0.250000 U\n0.500000 0.000000 0.750000 U\n0.500000 0.000000 0.250000 U\n0.000000 0.500000 0.750000 U\n0.932148 0.637082 0.500000 Pd\n0.067852 0.362918 0.500000 Pd\n0.567852 0.137082 0.000000 Pd\n0.432148 0.862918 0.000000 Pd\n0.637082 0.067852 0.500000 Pd\n0.362918 0.932148 0.500000 Pd\n0.137082 0.432148 0.000000 Pd\n0.862918 0.567852 0.000000 Pd\n0.774896 0.591167 0.366136 Se\n0.225104 0.408833 0.366136 Se\n0.725104 0.091167 0.866136 Se\n0.274896 0.908833 0.866136 Se\n0.591167 0.225104 0.366136 Se\n0.408833 0.774896 0.366136 Se\n0.091167 0.274896 0.866136 Se\n0.908833 0.725104 0.866136 Se\n0.225104 0.408833 0.633864 Se\n0.774896 0.591167 0.633864 Se\n0.274896 0.908833 0.133864 Se\n0.725104 0.091167 0.133864 Se\n0.408833 0.774896 0.633864 Se\n0.591167 0.225104 0.633864 Se\n0.908833 0.725104 0.133864 Se\n0.091167 0.274896 0.133864 Se\n0.579013 0.789453 0.131667 Se\n0.420987 0.210547 0.131667 Se\n0.920987 0.289453 0.631667 Se\n0.079013 0.710547 0.631667 Se\n0.789453 0.420987 0.131667 Se\n0.210547 0.579013 0.131667 Se\n0.289453 0.079013 0.631667 Se\n0.710547 0.920987 0.631667 Se\n0.420987 0.210547 0.868333 Se\n0.579013 0.789453 0.868333 Se\n0.079013 0.710547 0.368333 Se\n0.920987 0.289453 0.368333 Se\n0.210547 0.579013 0.868333 Se\n0.789453 0.420987 0.868333 Se\n0.710547 0.920987 0.368333 Se\n0.289453 0.079013 0.368333 Se\n0.500000 0.500000 0.500000 Se\n0.000000 0.000000 0.000000 Se\n",
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"elements": [
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"U",
"Pd",
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],
"chemical_system": "Pd-Rb-Se-U",
"density": 7.230912898789256,
"density_atomic": 0.03750462671769984,
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"formula_full": "Rb4 U12 Pd8 Se34",
"formula_reduced": "Rb2U6Pd4Se17",
"formula_anonymous": "A2B4C6D17",
"energy": -370.49134148,
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"updated_at": "2021-11-28T01:36:56.757000Z",
"spacegroup": 128
},
{
"id": "mp-1191149",
"created_at": "2022-09-04T14:43:52.605528Z",
"structure_string": "Rb4 U2 Pt6 S12\n1.0\n0.000000 7.294185 8.504301\n4.904756 0.000000 8.504301\n4.904756 7.294185 0.000000\nRb U Pt S\n4 2 6 12\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.307002 0.692998 0.307002 Rb\n0.692998 0.307002 0.692998 Rb\n0.832348 0.832348 0.167652 U\n0.167652 0.167652 0.832348 U\n0.503764 0.173857 0.496236 Pt\n0.826143 0.496236 0.173857 Pt\n0.496236 0.826143 0.503764 Pt\n0.173857 0.503764 0.826143 Pt\n0.830635 0.169365 0.169365 Pt\n0.169365 0.830635 0.830635 Pt\n0.819544 0.978340 0.402049 S\n0.800067 0.402049 0.978340 S\n0.402049 0.800067 0.819544 S\n0.978340 0.819544 0.800067 S\n0.180456 0.021660 0.597951 S\n0.199933 0.597951 0.021660 S\n0.597951 0.199933 0.180456 S\n0.021660 0.180456 0.199933 S\n0.810816 0.591855 0.408145 S\n0.189184 0.408145 0.591855 S\n0.408145 0.189184 0.810816 S\n0.591855 0.810816 0.189184 S\n",
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"formula_full": "Rb4 U2 Pt6 S12",
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"spacegroup": 69
},
{
"id": "mp-1191426",
"created_at": "2022-09-04T14:42:45.521511Z",
"structure_string": "Rb4 U2 Pt6 Se12\n1.0\n0.000000 7.761590 8.836202\n5.078680 0.000000 8.836202\n5.078680 7.761590 0.000000\nRb U Pt Se\n4 2 6 12\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.323195 0.676805 0.323195 Rb\n0.676805 0.323195 0.676805 Rb\n0.831689 0.831689 0.168311 U\n0.168311 0.168311 0.831689 U\n0.504783 0.168048 0.495217 Pt\n0.831952 0.495217 0.168048 Pt\n0.495217 0.831952 0.504783 Pt\n0.168048 0.504783 0.831952 Pt\n0.836825 0.163175 0.163175 Pt\n0.163175 0.836825 0.836825 Pt\n0.821787 0.976293 0.401285 Se\n0.800635 0.401285 0.976293 Se\n0.401285 0.800635 0.821787 Se\n0.976293 0.821787 0.800635 Se\n0.178213 0.023707 0.598715 Se\n0.199365 0.598715 0.023707 Se\n0.598715 0.199365 0.178213 Se\n0.023707 0.178213 0.199365 Se\n0.811636 0.591095 0.408905 Se\n0.188364 0.408905 0.591095 Se\n0.408905 0.188364 0.811636 Se\n0.591095 0.811636 0.188364 Se\n",
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"formula_full": "Rb4 U2 Pt6 Se12",
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{
"id": "mp-1220068",
"created_at": "2022-09-04T14:40:22.148315Z",
"structure_string": "Rb4 U12 Pt8 Se34\n1.0\n10.659916 0.000000 0.000000\n0.000000 10.659916 0.000000\n0.000000 0.000000 13.635931\nRb U Pt Se\n4 12 8 34\ndirect\n0.500000 0.500000 0.236020 Rb\n0.000000 0.000000 0.736020 Rb\n0.500000 0.500000 0.763980 Rb\n0.000000 0.000000 0.263980 Rb\n0.000000 0.500000 0.250000 U\n0.500000 0.000000 0.750000 U\n0.500000 0.000000 0.250000 U\n0.000000 0.500000 0.750000 U\n0.621134 0.744950 0.500000 U\n0.378866 0.255050 0.500000 U\n0.878866 0.244950 0.000000 U\n0.121134 0.755050 0.000000 U\n0.744950 0.378866 0.500000 U\n0.255050 0.621134 0.500000 U\n0.244950 0.121134 0.000000 U\n0.755050 0.878866 0.000000 U\n0.930528 0.637975 0.500000 Pt\n0.069472 0.362025 0.500000 Pt\n0.569472 0.137975 0.000000 Pt\n0.430528 0.862025 0.000000 Pt\n0.637975 0.069472 0.500000 Pt\n0.362025 0.930528 0.500000 Pt\n0.137975 0.430528 0.000000 Pt\n0.862025 0.569472 0.000000 Pt\n0.774716 0.590721 0.366608 Se\n0.225284 0.409279 0.366608 Se\n0.725284 0.090721 0.866608 Se\n0.274716 0.909279 0.866608 Se\n0.590721 0.225284 0.366608 Se\n0.409279 0.774716 0.366608 Se\n0.090721 0.274716 0.866608 Se\n0.909279 0.725284 0.866608 Se\n0.225284 0.409279 0.633392 Se\n0.774716 0.590721 0.633392 Se\n0.274716 0.909279 0.133392 Se\n0.725284 0.090721 0.133392 Se\n0.409279 0.774716 0.633392 Se\n0.590721 0.225284 0.633392 Se\n0.909279 0.725284 0.133392 Se\n0.090721 0.274716 0.133392 Se\n0.574206 0.784538 0.131811 Se\n0.425794 0.215462 0.131811 Se\n0.925794 0.284538 0.631811 Se\n0.074206 0.715462 0.631811 Se\n0.784538 0.425794 0.131811 Se\n0.215462 0.574206 0.131811 Se\n0.284538 0.074206 0.631811 Se\n0.715462 0.925794 0.631811 Se\n0.425794 0.215462 0.868189 Se\n0.574206 0.784538 0.868189 Se\n0.074206 0.715462 0.368189 Se\n0.925794 0.284538 0.368189 Se\n0.215462 0.574206 0.868189 Se\n0.784538 0.425794 0.868189 Se\n0.715462 0.925794 0.368189 Se\n0.284538 0.074206 0.368189 Se\n0.500000 0.500000 0.500000 Se\n0.000000 0.000000 0.000000 Se\n",
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"formula_full": "Rb4 U12 Pt8 Se34",
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"updated_at": "2021-11-28T01:34:55.523000Z",
"spacegroup": 128
},
{
"id": "mp-559405",
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"structure_string": "Rb1 U2 Sb1 S8\n1.0\n5.589775 3.978322 0.000000\n-5.589775 3.978322 0.000000\n0.000000 2.020122 7.562528\nRb U Sb S\n1 2 1 8\ndirect\n0.541433 0.541433 0.839828 Rb\n0.423506 0.923010 0.306638 U\n0.923010 0.423506 0.306638 U\n0.991845 0.991845 0.032712 Sb\n0.216123 0.515746 0.524464 S\n0.702603 0.032267 0.533196 S\n0.744412 0.226972 0.061590 S\n0.696110 0.696110 0.231744 S\n0.032267 0.702603 0.533196 S\n0.189272 0.189272 0.228638 S\n0.515746 0.216123 0.524464 S\n0.226972 0.744412 0.061590 S\n",
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"elements": [
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],
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"spacegroup": 8
},
{
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}