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{
"id": "mp-1213852",
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"structure_string": "Ce4 Si10 Pd6\n1.0\n-3.016516 4.983384 5.925509\n3.016516 -4.983384 5.925509\n3.016516 4.983384 -5.925509\nCe Si Pd\n4 10 6\ndirect\n0.638488 0.372194 0.266294 Ce\n0.361512 0.627806 0.733706 Ce\n0.105899 0.872194 0.233706 Ce\n0.894101 0.127806 0.766294 Ce\n0.465096 0.114477 0.350619 Si\n0.534904 0.885523 0.649381 Si\n0.763858 0.614477 0.149381 Si\n0.236142 0.385523 0.850619 Si\n0.273990 0.523990 0.250000 Si\n0.726010 0.476010 0.750000 Si\n0.726010 0.976010 0.250000 Si\n0.273990 0.023990 0.750000 Si\n0.000000 0.250000 0.250000 Si\n0.000000 0.750000 0.750000 Si\n0.500000 0.250000 0.750000 Pd\n0.500000 0.750000 0.250000 Pd\n0.247251 0.137898 0.109354 Pd\n0.752749 0.862102 0.890646 Pd\n0.028544 0.637898 0.390646 Pd\n0.971456 0.362102 0.609354 Pd\n",
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{
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"structure_string": "Ce4 Si10 Rh6\n1.0\n-2.930363 4.979740 5.824965\n2.930363 -4.979740 5.824965\n2.930363 4.979740 -5.824965\nCe Si Rh\n4 10 6\ndirect\n0.863935 0.632224 0.231712 Ce\n0.136065 0.367776 0.768288 Ce\n0.400512 0.132224 0.268288 Ce\n0.599488 0.867776 0.731712 Ce\n0.500000 0.750000 0.250000 Si\n0.500000 0.250000 0.750000 Si\n0.225026 0.975026 0.750000 Si\n0.774974 0.524974 0.750000 Si\n0.774974 0.024974 0.250000 Si\n0.225026 0.475026 0.250000 Si\n0.045373 0.892793 0.152581 Si\n0.954627 0.107207 0.847419 Si\n0.740212 0.392793 0.347419 Si\n0.259788 0.607207 0.652581 Si\n0.000000 0.750000 0.750000 Rh\n0.000000 0.250000 0.250000 Rh\n0.249971 0.861741 0.388230 Rh\n0.750029 0.138259 0.611770 Rh\n0.473512 0.361741 0.111770 Rh\n0.526488 0.638259 0.888230 Rh\n",
"nsites": 20,
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"elements": [
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"formula_full": "Ce4 Si10 Rh6",
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"updated_at": "2021-11-28T01:35:38.921000Z",
"spacegroup": 72
},
{
"id": "mp-1079241",
"created_at": "2022-09-04T14:41:24.182723Z",
"structure_string": "Ce2 Si7\n1.0\n3.527484 -4.990694 0.000000\n3.527484 4.990694 0.000000\n0.000000 0.000000 4.442740\nCe Si\n2 7\ndirect\n0.295746 0.704254 0.000000 Ce\n0.704254 0.295746 0.000000 Ce\n0.500000 0.500000 0.500000 Si\n0.321146 0.056464 0.500000 Si\n0.678854 0.943536 0.500000 Si\n0.056464 0.321146 0.500000 Si\n0.943536 0.678854 0.500000 Si\n0.179327 0.179327 0.000000 Si\n0.820673 0.820673 0.000000 Si\n",
"nsites": 9,
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"elements": [
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"volume": 156.42526108791822,
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"formula_full": "Ce2 Si7",
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"spacegroup": 65
},
{
"id": "mp-628614",
"created_at": "2022-09-04T14:41:30.698998Z",
"structure_string": "Ce4 Si14 Rh30\n1.0\n8.930730 0.000000 0.000000\n0.000000 8.930730 0.000000\n0.000000 0.000000 8.930730\nCe Si Rh\n4 14 30\ndirect\n0.500000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.500000 Ce\n0.000000 0.500000 0.000000 Ce\n0.212355 0.787645 0.787645 Si\n0.500000 0.500000 0.864680 Si\n0.212355 0.787645 0.212355 Si\n0.787645 0.212355 0.787645 Si\n0.787645 0.787645 0.212355 Si\n0.135320 0.500000 0.500000 Si\n0.500000 0.864680 0.500000 Si\n0.500000 0.135320 0.500000 Si\n0.500000 0.500000 0.135320 Si\n0.212355 0.212355 0.212355 Si\n0.864680 0.500000 0.500000 Si\n0.787645 0.212355 0.212355 Si\n0.212355 0.212355 0.787645 Si\n0.787645 0.787645 0.787645 Si\n0.500000 0.262097 0.262097 Rh\n0.000000 0.000000 0.227181 Rh\n0.323237 0.000000 0.676763 Rh\n0.737903 0.500000 0.262097 Rh\n0.676763 0.323237 0.000000 Rh\n0.772819 0.000000 0.000000 Rh\n0.323237 0.000000 0.323237 Rh\n0.000000 0.000000 0.772819 Rh\n0.737903 0.262097 0.500000 Rh\n0.676763 0.000000 0.323237 Rh\n0.227181 0.000000 0.000000 Rh\n0.000000 0.323237 0.323237 Rh\n0.737903 0.500000 0.737903 Rh\n0.000000 0.676763 0.323237 Rh\n0.262097 0.500000 0.737903 Rh\n0.000000 0.676763 0.676763 Rh\n0.737903 0.737903 0.500000 Rh\n0.000000 0.323237 0.676763 Rh\n0.500000 0.737903 0.737903 Rh\n0.323237 0.323237 0.000000 Rh\n0.500000 0.262097 0.737903 Rh\n0.323237 0.676763 0.000000 Rh\n0.000000 0.227181 0.000000 Rh\n0.676763 0.000000 0.676763 Rh\n0.262097 0.262097 0.500000 Rh\n0.262097 0.737903 0.500000 Rh\n0.500000 0.737903 0.262097 Rh\n0.262097 0.500000 0.262097 Rh\n0.000000 0.772819 0.000000 Rh\n0.676763 0.676763 0.000000 Rh\n",
"nsites": 48,
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"elements": [
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"Si",
"Rh"
],
"chemical_system": "Ce-Rh-Si",
"density": 9.420161931933523,
"density_atomic": 0.0673876572629874,
"volume": 712.2966126077802,
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"formula_full": "Ce4 Si14 Rh30",
"formula_reduced": "Ce2Si7Rh15",
"formula_anonymous": "A2B7C15",
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"updated_at": "2021-11-28T01:35:24.113000Z",
"spacegroup": 221
},
{
"id": "mp-1227027",
"created_at": "2022-09-04T14:42:46.556363Z",
"structure_string": "Ce2 Si9 Ni17\n1.0\n0.000000 5.632792 5.710158\n5.422132 0.000000 5.710158\n5.422132 5.632792 0.000000\nCe Si Ni\n2 9 17\ndirect\n0.250000 0.250000 0.250000 Ce\n0.750000 0.750000 0.750000 Ce\n0.697900 0.059124 0.940876 Si\n0.059124 0.697900 0.302100 Si\n0.209877 0.556415 0.790123 Si\n0.556415 0.209877 0.443585 Si\n0.302100 0.940876 0.059124 Si\n0.940876 0.302100 0.697900 Si\n0.790123 0.443585 0.209877 Si\n0.443585 0.790123 0.556415 Si\n0.000000 0.000000 0.000000 Si\n0.714199 0.285801 0.059588 Ni\n0.285801 0.714199 0.940412 Ni\n0.203622 0.796378 0.434856 Ni\n0.796378 0.203622 0.565144 Ni\n0.434856 0.565144 0.203622 Ni\n0.565144 0.434856 0.796378 Ni\n0.059588 0.940412 0.714199 Ni\n0.940412 0.059588 0.285801 Ni\n0.441666 0.188116 0.811884 Ni\n0.188116 0.441666 0.558334 Ni\n0.941783 0.687922 0.058217 Ni\n0.687922 0.941783 0.312078 Ni\n0.558334 0.811884 0.188116 Ni\n0.811884 0.558334 0.441666 Ni\n0.058217 0.312078 0.941783 Ni\n0.312078 0.058217 0.687922 Ni\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 28,
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"elements": [
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],
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"formula_full": "Ce2 Si9 Ni17",
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"energy": -175.03922570999998,
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},
{
"id": "mp-1226899",
"created_at": "2022-09-04T14:45:32.250729Z",
"structure_string": "Ce4 Si2 Ge2\n1.0\n3.954127 0.000000 0.000000\n0.000000 5.891591 0.000000\n0.000000 0.000000 8.209559\nCe Si Ge\n4 2 2\ndirect\n0.000000 0.133671 0.681035 Ce\n0.000000 0.866329 0.181035 Ce\n0.500000 0.362599 0.319724 Ce\n0.500000 0.637401 0.819724 Ce\n0.500000 0.880075 0.462731 Si\n0.500000 0.119925 0.962731 Si\n0.000000 0.622092 0.536510 Ge\n0.000000 0.377908 0.036510 Ge\n",
"nsites": 8,
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"elements": [
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"density": 6.6153463786072075,
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"formula_full": "Ce4 Si2 Ge2",
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{
"id": "mp-1203477",
"created_at": "2022-09-04T14:41:32.353697Z",
"structure_string": "Ce4 Si2 Pd28\n1.0\n9.000433 0.000000 0.000000\n0.000000 9.000433 0.000000\n0.000000 0.000000 7.035294\nCe Si Pd\n4 2 28\ndirect\n0.500000 0.000000 0.936369 Ce\n0.000000 0.500000 0.063631 Ce\n0.000000 0.000000 0.500000 Ce\n0.500000 0.500000 0.500000 Ce\n0.500000 0.000000 0.449847 Si\n0.000000 0.500000 0.550153 Si\n0.334612 0.834612 0.615483 Pd\n0.334612 0.165388 0.615483 Pd\n0.665388 0.834612 0.615483 Pd\n0.665388 0.165388 0.615483 Pd\n0.165388 0.665388 0.384517 Pd\n0.165388 0.334612 0.384517 Pd\n0.834612 0.665388 0.384517 Pd\n0.834612 0.334612 0.384517 Pd\n0.500000 0.769127 0.260234 Pd\n0.500000 0.230873 0.260234 Pd\n0.269127 0.000000 0.260234 Pd\n0.730873 0.000000 0.260234 Pd\n0.000000 0.730873 0.739766 Pd\n0.000000 0.269127 0.739766 Pd\n0.230873 0.500000 0.739766 Pd\n0.769127 0.500000 0.739766 Pd\n0.500000 0.349627 0.850909 Pd\n0.500000 0.650373 0.850909 Pd\n0.849627 0.000000 0.850909 Pd\n0.150373 0.000000 0.850909 Pd\n0.000000 0.150373 0.149091 Pd\n0.000000 0.849627 0.149091 Pd\n0.650373 0.500000 0.149091 Pd\n0.349627 0.500000 0.149091 Pd\n0.250000 0.750000 0.000000 Pd\n0.250000 0.250000 0.000000 Pd\n0.750000 0.750000 0.000000 Pd\n0.750000 0.250000 0.000000 Pd\n",
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{
"id": "mp-1206942",
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"structure_string": "Ce2 Si3 Pt3\n1.0\n2.735045 0.000000 0.000000\n0.000000 2.735045 0.000000\n0.000000 0.000000 21.069509\nCe Si Pt\n2 3 3\ndirect\n0.500000 0.500000 0.753811 Ce\n0.500000 0.500000 0.246189 Ce\n0.500000 0.500000 0.387719 Si\n0.500000 0.500000 0.612281 Si\n0.500000 0.500000 0.000000 Si\n0.500000 0.500000 0.112234 Pt\n0.500000 0.500000 0.887766 Pt\n0.500000 0.500000 0.500000 Pt\n",
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"density": 10.006234767289829,
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{
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"structure_string": "Ce8 Si4 S20\n1.0\n12.562660 0.000000 0.000000\n0.000000 7.525072 0.000000\n0.000000 1.555617 7.683621\nCe Si S\n8 4 20\ndirect\n0.832233 0.837999 0.636812 Ce\n0.905169 0.237134 0.955837 Ce\n0.332233 0.162001 0.863188 Ce\n0.405169 0.762866 0.544163 Ce\n0.094831 0.762866 0.044163 Ce\n0.594831 0.237134 0.455837 Ce\n0.167767 0.162001 0.363188 Ce\n0.667767 0.837999 0.136812 Ce\n0.117507 0.670103 0.595611 Si\n0.617507 0.329897 0.904389 Si\n0.382493 0.670103 0.095611 Si\n0.882493 0.329897 0.404389 Si\n0.704395 0.124359 0.804857 S\n0.970587 0.174005 0.614377 S\n0.470587 0.825995 0.885623 S\n0.497648 0.419597 0.716881 S\n0.029413 0.825995 0.385623 S\n0.381219 0.138258 0.499503 S\n0.002352 0.419597 0.216881 S\n0.118781 0.138258 0.999503 S\n0.997648 0.580403 0.783119 S\n0.295605 0.875641 0.195143 S\n0.881219 0.861742 0.000497 S\n0.729421 0.526655 0.948417 S\n0.618781 0.861742 0.500497 S\n0.270579 0.473345 0.051583 S\n0.795605 0.124359 0.304857 S\n0.770579 0.526655 0.448417 S\n0.502352 0.580403 0.283119 S\n0.229421 0.473345 0.551583 S\n0.529413 0.174005 0.114377 S\n0.204395 0.875641 0.695143 S\n",
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{
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{
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{
"id": "mp-542663",
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"structure_string": "Ce8 Si4 Te4 O16\n1.0\n6.411129 0.000000 0.000000\n0.000000 7.290584 0.000000\n0.000000 0.000000 11.315004\nCe Si Te O\n8 4 4 16\ndirect\n0.112160 0.039247 0.250000 Ce\n0.112160 0.460753 0.750000 Ce\n0.887840 0.539247 0.250000 Ce\n0.887840 0.960753 0.750000 Ce\n0.610089 0.250000 0.000000 Ce\n0.389911 0.750000 0.500000 Ce\n0.389911 0.750000 0.000000 Ce\n0.610089 0.250000 0.500000 Ce\n0.113659 0.250000 0.000000 Si\n0.886341 0.750000 0.500000 Si\n0.886341 0.750000 0.000000 Si\n0.113659 0.250000 0.500000 Si\n0.402001 0.428873 0.250000 Te\n0.402001 0.071127 0.750000 Te\n0.597999 0.928873 0.250000 Te\n0.597999 0.571127 0.750000 Te\n0.046654 0.770408 0.114976 O\n0.046654 0.729592 0.885024 O\n0.953346 0.270408 0.385024 O\n0.953346 0.229592 0.614976 O\n0.953346 0.229592 0.885024 O\n0.953346 0.270408 0.114976 O\n0.046654 0.729592 0.614976 O\n0.046654 0.770408 0.385024 O\n0.267618 0.078103 0.035896 O\n0.267618 0.421897 0.964104 O\n0.732382 0.578103 0.464104 O\n0.732382 0.921897 0.535896 O\n0.732382 0.921897 0.964104 O\n0.732382 0.578103 0.035896 O\n0.267618 0.421897 0.535896 O\n0.267618 0.078103 0.464104 O\n",
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}