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{
"count": 146323,
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"results": [
{
"id": "mp-1197990",
"created_at": "2022-09-04T14:39:14.162299Z",
"structure_string": "Pr46 Cd8 Ru14\n1.0\n5.024648 -8.702945 0.000000\n5.024648 8.702945 0.000000\n0.000000 0.000000 22.596183\nPr Cd Ru\n46 8 14\ndirect\n0.126307 0.873693 0.364464 Pr\n0.747386 0.873693 0.364464 Pr\n0.126307 0.252614 0.364464 Pr\n0.873693 0.126307 0.864464 Pr\n0.252614 0.126307 0.864464 Pr\n0.873693 0.747386 0.864464 Pr\n0.205019 0.794981 0.217990 Pr\n0.589961 0.794981 0.217990 Pr\n0.205019 0.410039 0.217990 Pr\n0.794981 0.205019 0.717990 Pr\n0.410039 0.205019 0.717990 Pr\n0.794981 0.589961 0.717990 Pr\n0.207155 0.792845 0.052507 Pr\n0.585690 0.792845 0.052507 Pr\n0.207155 0.414310 0.052507 Pr\n0.792845 0.207155 0.552507 Pr\n0.414310 0.207155 0.552507 Pr\n0.792845 0.585690 0.552507 Pr\n0.207161 0.792839 0.509161 Pr\n0.585678 0.792839 0.509161 Pr\n0.207161 0.414322 0.509161 Pr\n0.792839 0.207161 0.009161 Pr\n0.414322 0.207161 0.009161 Pr\n0.792839 0.585678 0.009161 Pr\n0.541296 0.458704 0.414513 Pr\n0.917408 0.458704 0.414513 Pr\n0.541296 0.082592 0.414513 Pr\n0.458704 0.541296 0.914513 Pr\n0.082592 0.541296 0.914513 Pr\n0.458704 0.917408 0.914513 Pr\n0.539971 0.460029 0.145252 Pr\n0.920057 0.460029 0.145252 Pr\n0.539971 0.079943 0.145252 Pr\n0.460029 0.539971 0.645252 Pr\n0.079943 0.539971 0.645252 Pr\n0.460029 0.920057 0.645252 Pr\n0.333333 0.666667 0.353173 Pr\n0.666667 0.333333 0.853173 Pr\n0.000000 0.000000 0.500690 Pr\n0.000000 0.000000 0.000690 Pr\n0.793029 0.206971 0.280409 Pr\n0.413943 0.206971 0.280409 Pr\n0.793029 0.586057 0.280409 Pr\n0.206971 0.793029 0.780409 Pr\n0.586057 0.793029 0.780409 Pr\n0.206971 0.413943 0.780409 Pr\n0.894286 0.105714 0.137131 Cd\n0.211428 0.105714 0.137131 Cd\n0.894286 0.788572 0.137131 Cd\n0.105714 0.894286 0.637131 Cd\n0.788572 0.894286 0.637131 Cd\n0.105714 0.211428 0.637131 Cd\n0.000000 0.000000 0.249344 Cd\n0.000000 0.000000 0.749344 Cd\n0.483100 0.516900 0.289160 Ru\n0.033800 0.516900 0.289160 Ru\n0.483100 0.966200 0.289160 Ru\n0.516900 0.483100 0.789160 Ru\n0.966200 0.483100 0.789160 Ru\n0.516900 0.033800 0.789160 Ru\n0.853730 0.146270 0.438916 Ru\n0.292540 0.146270 0.438916 Ru\n0.853730 0.707460 0.438916 Ru\n0.146270 0.853730 0.938916 Ru\n0.707460 0.853730 0.938916 Ru\n0.146270 0.292540 0.938916 Ru\n0.333333 0.666667 0.131784 Ru\n0.666667 0.333333 0.631784 Ru\n",
"nsites": 68,
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"elements": [
"Pr",
"Cd",
"Ru"
],
"chemical_system": "Cd-Pr-Ru",
"density": 7.3909172522511355,
"density_atomic": 0.03440899213596153,
"volume": 1976.2276015324442,
"volume_molar": 17.501648220919957,
"formula_full": "Pr46 Cd8 Ru14",
"formula_reduced": "Pr23Cd4Ru7",
"formula_anonymous": "A4B7C23",
"energy": -372.76824744,
"energy_per_atom": -5.481885991764706,
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"band_gap": 0.0,
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"total_magnetization": 0.0514911,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:29.842000Z",
"spacegroup": 186
},
{
"id": "mp-1210149",
"created_at": "2022-09-04T14:41:04.745455Z",
"structure_string": "Sm46 Cd8 Rh14\n1.0\n4.948103 -8.570366 0.000000\n4.948103 8.570366 0.000000\n0.000000 0.000000 22.352757\nSm Cd Rh\n46 8 14\ndirect\n0.207799 0.415599 0.721065 Sm\n0.207799 0.792201 0.721065 Sm\n0.792201 0.584401 0.221065 Sm\n0.584401 0.792201 0.721065 Sm\n0.792201 0.207799 0.221065 Sm\n0.415599 0.207799 0.221065 Sm\n0.792333 0.584665 0.946675 Sm\n0.792333 0.207667 0.946675 Sm\n0.207667 0.415335 0.446675 Sm\n0.415335 0.207667 0.946675 Sm\n0.207667 0.792333 0.446675 Sm\n0.584665 0.792333 0.446675 Sm\n0.209917 0.419834 0.989660 Sm\n0.209917 0.790083 0.989660 Sm\n0.790083 0.580166 0.489660 Sm\n0.580166 0.790083 0.989660 Sm\n0.790083 0.209917 0.489660 Sm\n0.419834 0.209917 0.489660 Sm\n0.872905 0.745809 0.635893 Sm\n0.872905 0.127095 0.635893 Sm\n0.127095 0.254191 0.135893 Sm\n0.254191 0.127095 0.635893 Sm\n0.127095 0.872905 0.135893 Sm\n0.745809 0.872905 0.135893 Sm\n0.458574 0.917148 0.856672 Sm\n0.458574 0.541426 0.856672 Sm\n0.541426 0.082852 0.356672 Sm\n0.082852 0.541426 0.856672 Sm\n0.541426 0.458574 0.356672 Sm\n0.917148 0.458574 0.356672 Sm\n0.000000 0.000000 0.995902 Sm\n0.000000 0.000000 0.495902 Sm\n0.459866 0.919731 0.584788 Sm\n0.459866 0.540134 0.584788 Sm\n0.540134 0.080269 0.084788 Sm\n0.080269 0.540134 0.584788 Sm\n0.540134 0.459866 0.084788 Sm\n0.919731 0.459866 0.084788 Sm\n0.798986 0.597972 0.782914 Sm\n0.798986 0.201014 0.782914 Sm\n0.201014 0.402028 0.282914 Sm\n0.402028 0.201014 0.782914 Sm\n0.201014 0.798986 0.282914 Sm\n0.597972 0.798986 0.282914 Sm\n0.666667 0.333333 0.644417 Sm\n0.333333 0.666667 0.144417 Sm\n0.000000 0.000000 0.749988 Cd\n0.000000 0.000000 0.249988 Cd\n0.107636 0.215273 0.863738 Cd\n0.107636 0.892364 0.863738 Cd\n0.892364 0.784727 0.363738 Cd\n0.784727 0.892364 0.863738 Cd\n0.892364 0.107636 0.363738 Cd\n0.215273 0.107636 0.363738 Cd\n0.521604 0.043208 0.710142 Rh\n0.521604 0.478396 0.710142 Rh\n0.478396 0.956792 0.210142 Rh\n0.956792 0.478396 0.710142 Rh\n0.478396 0.521604 0.210142 Rh\n0.043208 0.521604 0.210142 Rh\n0.666667 0.333333 0.862661 Rh\n0.333333 0.666667 0.362661 Rh\n0.142873 0.285747 0.563037 Rh\n0.142873 0.857127 0.563037 Rh\n0.857127 0.714253 0.063037 Rh\n0.714253 0.857127 0.563037 Rh\n0.857127 0.142873 0.063037 Rh\n0.285747 0.142873 0.063037 Rh\n",
"nsites": 68,
"nelements": 3,
"elements": [
"Sm",
"Cd",
"Rh"
],
"chemical_system": "Cd-Rh-Sm",
"density": 8.10770396506474,
"density_atomic": 0.035868211325237195,
"volume": 1895.829133585889,
"volume_molar": 16.789632204945683,
"formula_full": "Sm46 Cd8 Rh14",
"formula_reduced": "Sm23Cd4Rh7",
"formula_anonymous": "A4B7C23",
"energy": -356.78252695,
"energy_per_atom": -5.246801866911764,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.923000Z",
"spacegroup": 186
},
{
"id": "mp-570297",
"created_at": "2022-09-04T14:42:07.738065Z",
"structure_string": "La46 Mg8 Rh14\n1.0\n5.117070 -8.863026 0.000000\n5.117070 8.863026 0.000000\n0.000000 0.000000 23.103819\nLa Mg Rh\n46 8 14\ndirect\n0.415531 0.207766 0.550807 La\n0.744811 0.872405 0.365595 La\n0.255189 0.127595 0.865595 La\n0.420158 0.210079 0.008385 La\n0.458752 0.917503 0.643288 La\n0.540106 0.080213 0.413516 La\n0.794405 0.205595 0.717342 La\n0.207766 0.415531 0.050807 La\n0.540106 0.459894 0.413516 La\n0.459894 0.919787 0.913516 La\n0.082497 0.541248 0.643288 La\n0.584938 0.792469 0.779774 La\n0.917503 0.458752 0.143288 La\n0.210079 0.420158 0.508385 La\n0.666667 0.333333 0.853552 La\n0.458752 0.541248 0.643288 La\n0.210079 0.789921 0.508385 La\n0.411190 0.205595 0.717342 La\n0.789921 0.579842 0.008385 La\n0.794405 0.588810 0.717342 La\n0.127595 0.872405 0.365595 La\n0.207531 0.792469 0.779774 La\n0.205595 0.794405 0.217342 La\n0.080213 0.540106 0.913516 La\n0.207531 0.415062 0.779774 La\n0.919787 0.459894 0.413516 La\n0.459894 0.540106 0.913516 La\n0.792469 0.207531 0.279774 La\n0.872405 0.744811 0.865595 La\n0.000000 0.000000 0.000489 La\n0.789921 0.210079 0.008385 La\n0.588810 0.794405 0.217342 La\n0.541248 0.458752 0.143288 La\n0.000000 0.000000 0.500489 La\n0.579842 0.789921 0.508385 La\n0.792234 0.584469 0.550807 La\n0.584469 0.792234 0.050807 La\n0.792234 0.207766 0.550807 La\n0.207766 0.792234 0.050807 La\n0.205595 0.411190 0.217342 La\n0.333333 0.666667 0.353552 La\n0.872405 0.127595 0.865595 La\n0.127595 0.255189 0.365595 La\n0.792469 0.584938 0.279774 La\n0.415062 0.207531 0.279774 La\n0.541248 0.082497 0.143288 La\n0.211751 0.105876 0.136539 Mg\n0.105876 0.894124 0.636539 Mg\n0.000000 0.000000 0.248883 Mg\n0.894124 0.788249 0.136539 Mg\n0.000000 0.000000 0.748883 Mg\n0.105876 0.211751 0.636539 Mg\n0.894124 0.105876 0.136539 Mg\n0.788249 0.894124 0.636539 Mg\n0.479951 0.959903 0.287534 Rh\n0.856551 0.143449 0.436594 Rh\n0.856551 0.713102 0.436594 Rh\n0.666667 0.333333 0.633709 Rh\n0.333333 0.666667 0.133709 Rh\n0.520049 0.479951 0.787534 Rh\n0.143449 0.856551 0.936594 Rh\n0.959903 0.479951 0.787534 Rh\n0.286898 0.143449 0.436594 Rh\n0.520049 0.040097 0.787534 Rh\n0.143449 0.286898 0.936594 Rh\n0.040097 0.520049 0.287534 Rh\n0.479951 0.520049 0.287534 Rh\n0.713102 0.856551 0.936594 Rh\n",
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"elements": [
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"Mg",
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],
"chemical_system": "La-Mg-Rh",
"density": 6.358643342926341,
"density_atomic": 0.032448286068516324,
"volume": 2095.642273875862,
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"formula_full": "La46 Mg8 Rh14",
"formula_reduced": "La23Mg4Rh7",
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"energy": -370.69778098,
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"updated_at": "2021-11-28T01:35:36.519000Z",
"spacegroup": 186
},
{
"id": "mp-1210297",
"created_at": "2022-09-04T14:39:17.933358Z",
"structure_string": "Pr46 Cd8 Pt14\n1.0\n5.087735 -8.812216 0.000000\n5.087735 8.812216 0.000000\n0.000000 0.000000 23.023349\nPr Cd Pt\n46 8 14\ndirect\n0.205254 0.410508 0.720893 Pr\n0.205254 0.794746 0.720893 Pr\n0.794746 0.589492 0.220893 Pr\n0.589492 0.794746 0.720893 Pr\n0.794746 0.205254 0.220893 Pr\n0.410508 0.205254 0.220893 Pr\n0.794446 0.588892 0.945319 Pr\n0.794446 0.205554 0.945319 Pr\n0.205554 0.411108 0.445319 Pr\n0.411108 0.205554 0.945319 Pr\n0.205554 0.794446 0.445319 Pr\n0.588892 0.794446 0.445319 Pr\n0.211155 0.422311 0.989548 Pr\n0.211155 0.788845 0.989548 Pr\n0.788845 0.577689 0.489548 Pr\n0.577689 0.788845 0.989548 Pr\n0.788845 0.211155 0.489548 Pr\n0.422311 0.211155 0.489548 Pr\n0.871440 0.742880 0.636328 Pr\n0.871440 0.128560 0.636328 Pr\n0.128560 0.257120 0.136328 Pr\n0.257120 0.128560 0.636328 Pr\n0.128560 0.871440 0.136328 Pr\n0.742880 0.871440 0.136328 Pr\n0.456615 0.913229 0.856222 Pr\n0.456615 0.543385 0.856222 Pr\n0.543385 0.086771 0.356222 Pr\n0.086771 0.543385 0.856222 Pr\n0.543385 0.456615 0.356222 Pr\n0.913229 0.456615 0.356222 Pr\n0.000000 0.000000 0.996153 Pr\n0.000000 0.000000 0.496153 Pr\n0.461227 0.922453 0.584893 Pr\n0.461227 0.538773 0.584893 Pr\n0.538773 0.077547 0.084893 Pr\n0.077547 0.538773 0.584893 Pr\n0.538773 0.461227 0.084893 Pr\n0.922453 0.461227 0.084893 Pr\n0.800988 0.601975 0.783931 Pr\n0.800988 0.199012 0.783931 Pr\n0.199012 0.398025 0.283931 Pr\n0.398025 0.199012 0.783931 Pr\n0.199012 0.800988 0.283931 Pr\n0.601975 0.800988 0.283931 Pr\n0.666667 0.333333 0.642779 Pr\n0.333333 0.666667 0.142779 Pr\n0.000000 0.000000 0.748972 Cd\n0.000000 0.000000 0.248972 Cd\n0.107237 0.214474 0.863247 Cd\n0.107237 0.892763 0.863247 Cd\n0.892763 0.785526 0.363247 Cd\n0.785526 0.892763 0.863247 Cd\n0.892763 0.107237 0.363247 Cd\n0.214474 0.107237 0.363247 Cd\n0.522702 0.045405 0.710799 Pt\n0.522702 0.477298 0.710799 Pt\n0.477298 0.954595 0.210799 Pt\n0.954595 0.477298 0.710799 Pt\n0.477298 0.522702 0.210799 Pt\n0.045405 0.522702 0.210799 Pt\n0.666667 0.333333 0.861430 Pt\n0.333333 0.666667 0.361430 Pt\n0.142736 0.285472 0.564616 Pt\n0.142736 0.857264 0.564616 Pt\n0.857264 0.714528 0.064616 Pt\n0.714528 0.857264 0.564616 Pt\n0.857264 0.142736 0.064616 Pt\n0.285472 0.142736 0.064616 Pt\n",
"nsites": 68,
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"elements": [
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"Cd",
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],
"chemical_system": "Cd-Pr-Pt",
"density": 8.133684493410987,
"density_atomic": 0.03293827141774205,
"volume": 2064.467777849815,
"volume_molar": 18.283111106905874,
"formula_full": "Pr46 Cd8 Pt14",
"formula_reduced": "Pr23Cd4Pt7",
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"energy": -351.8512648,
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"updated_at": "2021-11-28T01:34:45.242000Z",
"spacegroup": 186
},
{
"id": "mp-1210494",
"created_at": "2022-09-04T14:48:08.845893Z",
"structure_string": "Pr46 Cd8 Ni14\n1.0\n4.959173 -8.589540 0.000000\n4.959173 8.589540 0.000000\n0.000000 0.000000 22.429742\nPr Cd Ni\n46 8 14\ndirect\n0.206033 0.412065 0.719866 Pr\n0.206033 0.793967 0.719866 Pr\n0.793967 0.587935 0.219866 Pr\n0.587935 0.793967 0.719866 Pr\n0.793967 0.206033 0.219866 Pr\n0.412065 0.206033 0.219866 Pr\n0.793172 0.586343 0.946864 Pr\n0.793172 0.206828 0.946864 Pr\n0.206828 0.413657 0.446864 Pr\n0.413657 0.206828 0.946864 Pr\n0.206828 0.793172 0.446864 Pr\n0.586343 0.793172 0.446864 Pr\n0.211044 0.422088 0.990540 Pr\n0.211044 0.788956 0.990540 Pr\n0.788956 0.577912 0.490540 Pr\n0.577912 0.788956 0.990540 Pr\n0.788956 0.211044 0.490540 Pr\n0.422088 0.211044 0.490540 Pr\n0.873024 0.746048 0.633748 Pr\n0.873024 0.126976 0.633748 Pr\n0.126976 0.253952 0.133748 Pr\n0.253952 0.126976 0.633748 Pr\n0.126976 0.873024 0.133748 Pr\n0.746048 0.873024 0.133748 Pr\n0.457561 0.915123 0.855811 Pr\n0.457561 0.542439 0.855811 Pr\n0.542439 0.084877 0.355811 Pr\n0.084877 0.542439 0.855811 Pr\n0.542439 0.457561 0.355811 Pr\n0.915123 0.457561 0.355811 Pr\n0.000000 0.000000 0.998701 Pr\n0.000000 0.000000 0.498701 Pr\n0.460439 0.920879 0.585832 Pr\n0.460439 0.539561 0.585832 Pr\n0.539561 0.079121 0.085832 Pr\n0.079121 0.539561 0.585832 Pr\n0.539561 0.460439 0.085832 Pr\n0.920879 0.460439 0.085832 Pr\n0.797166 0.594333 0.782442 Pr\n0.797166 0.202834 0.782442 Pr\n0.202834 0.405667 0.282442 Pr\n0.405667 0.202834 0.782442 Pr\n0.202834 0.797166 0.282442 Pr\n0.594333 0.797166 0.282442 Pr\n0.666667 0.333333 0.645586 Pr\n0.333333 0.666667 0.145586 Pr\n0.000000 0.000000 0.749054 Cd\n0.000000 0.000000 0.249054 Cd\n0.106557 0.213113 0.863132 Cd\n0.106557 0.893443 0.863132 Cd\n0.893443 0.786887 0.363132 Cd\n0.786887 0.893443 0.863132 Cd\n0.893443 0.106557 0.363132 Cd\n0.213113 0.106557 0.363132 Cd\n0.521211 0.042422 0.710637 Ni\n0.521211 0.478789 0.710637 Ni\n0.478789 0.957578 0.210637 Ni\n0.957578 0.478789 0.710637 Ni\n0.478789 0.521211 0.210637 Ni\n0.042422 0.521211 0.210637 Ni\n0.666667 0.333333 0.863270 Ni\n0.333333 0.666667 0.363270 Ni\n0.142780 0.285560 0.564497 Ni\n0.142780 0.857220 0.564497 Ni\n0.857220 0.714440 0.064497 Ni\n0.714440 0.857220 0.564497 Ni\n0.857220 0.142780 0.064497 Ni\n0.285560 0.142780 0.064497 Ni\n",
"nsites": 68,
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"elements": [
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"Cd",
"Ni"
],
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"density": 7.1281199869676986,
"density_atomic": 0.03558569675923326,
"volume": 1910.8801061301783,
"volume_molar": 16.92292496264658,
"formula_full": "Pr46 Cd8 Ni14",
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"energy": -323.02532926,
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"updated_at": "2021-11-28T01:38:31.086000Z",
"spacegroup": 186
},
{
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{
"id": "mp-567446",
"created_at": "2022-09-04T14:40:07.261459Z",
"structure_string": "La46 Cd8 Pt14\n1.0\n5.131779 -8.888502 0.000000\n5.131779 8.888502 0.000000\n0.000000 0.000000 23.345860\nLa Cd Pt\n46 8 14\ndirect\n0.409993 0.204997 0.945585 La\n0.333333 0.666667 0.144804 La\n0.578391 0.789195 0.991466 La\n0.128100 0.871900 0.135408 La\n0.205634 0.794366 0.720664 La\n0.915129 0.457565 0.355937 La\n0.920615 0.460307 0.084995 La\n0.079385 0.539693 0.584995 La\n0.789195 0.210805 0.491466 La\n0.128100 0.256200 0.135408 La\n0.200126 0.400252 0.283673 La\n0.590007 0.795003 0.445585 La\n0.871900 0.128100 0.635408 La\n0.588732 0.794366 0.720664 La\n0.795003 0.204997 0.945585 La\n0.210805 0.789195 0.991466 La\n0.400252 0.200126 0.783673 La\n0.204997 0.409993 0.445585 La\n0.539693 0.079385 0.084995 La\n0.795003 0.590007 0.945585 La\n0.421609 0.210805 0.491466 La\n0.084871 0.542435 0.855937 La\n0.460307 0.539693 0.584995 La\n0.799874 0.599748 0.783673 La\n0.205634 0.411268 0.720664 La\n0.000000 0.000000 0.493659 La\n0.599748 0.799874 0.283673 La\n0.200126 0.799874 0.283673 La\n0.799874 0.200126 0.783673 La\n0.666667 0.333333 0.644804 La\n0.542435 0.084871 0.355937 La\n0.256200 0.128100 0.635408 La\n0.000000 0.000000 0.993659 La\n0.204997 0.795003 0.445585 La\n0.457565 0.542435 0.855937 La\n0.794366 0.588732 0.220664 La\n0.457565 0.915129 0.855937 La\n0.794366 0.205634 0.220664 La\n0.210805 0.421609 0.991466 La\n0.789195 0.578391 0.491466 La\n0.460307 0.920615 0.584995 La\n0.542435 0.457565 0.355937 La\n0.539693 0.460307 0.084995 La\n0.871900 0.743800 0.635408 La\n0.743800 0.871900 0.135408 La\n0.411268 0.205634 0.220664 La\n0.213704 0.106852 0.362984 Cd\n0.000000 0.000000 0.249212 Cd\n0.106852 0.213704 0.862984 Cd\n0.893148 0.786296 0.362984 Cd\n0.893148 0.106852 0.362984 Cd\n0.000000 0.000000 0.749212 Cd\n0.106852 0.893148 0.862984 Cd\n0.786296 0.893148 0.862984 Cd\n0.666667 0.333333 0.861893 Pt\n0.333333 0.666667 0.361893 Pt\n0.956852 0.478426 0.712011 Pt\n0.478426 0.521574 0.212011 Pt\n0.521574 0.478426 0.712011 Pt\n0.521574 0.043148 0.712011 Pt\n0.142032 0.857968 0.563012 Pt\n0.857968 0.715936 0.063012 Pt\n0.043148 0.521574 0.212011 Pt\n0.142032 0.284064 0.563012 Pt\n0.284064 0.142032 0.063012 Pt\n0.857968 0.142032 0.063012 Pt\n0.715936 0.857968 0.563012 Pt\n0.478426 0.956852 0.212011 Pt\n",
"nsites": 68,
"nelements": 3,
"elements": [
"La",
"Cd",
"Pt"
],
"chemical_system": "Cd-La-Pt",
"density": 7.812417390191957,
"density_atomic": 0.03192805923609608,
"volume": 2129.7880806711546,
"volume_molar": 18.861593545252834,
"formula_full": "La46 Cd8 Pt14",
"formula_reduced": "La23Cd4Pt7",
"formula_anonymous": "A4B7C23",
"energy": -361.33718226,
"energy_per_atom": -5.3137820920588235,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -361.33718226,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.7453973,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:49.505000Z",
"spacegroup": 186
},
{
"id": "mp-1224685",
"created_at": "2022-09-04T14:40:03.437407Z",
"structure_string": "Ge7 H4 O22\n1.0\n0.020719 7.905153 0.020719\n0.020719 0.020719 7.905153\n7.905153 0.020719 0.020719\nGe H O\n7 4 22\ndirect\n0.145979 0.838517 0.145979 Ge\n0.838517 0.145979 0.145979 Ge\n0.145979 0.145979 0.838517 Ge\n0.853920 0.853920 0.853920 Ge\n0.492956 0.996544 0.996544 Ge\n0.996544 0.996544 0.492956 Ge\n0.996544 0.492956 0.996544 Ge\n0.178745 0.178745 0.178745 H\n0.799107 0.799107 0.176879 H\n0.176879 0.799107 0.799107 H\n0.799107 0.176879 0.799107 H\n0.107490 0.107490 0.107490 O\n0.882508 0.882508 0.108591 O\n0.108591 0.882508 0.882508 O\n0.882508 0.108591 0.882508 O\n0.370824 0.862669 0.126051 O\n0.126051 0.862669 0.370824 O\n0.127139 0.614454 0.127139 O\n0.614454 0.127139 0.127139 O\n0.862669 0.126051 0.370824 O\n0.862669 0.370824 0.126051 O\n0.370824 0.126051 0.862669 O\n0.127139 0.127139 0.614454 O\n0.126051 0.370824 0.862669 O\n0.622602 0.865550 0.865550 O\n0.865550 0.865550 0.622602 O\n0.865550 0.622602 0.865550 O\n0.594760 0.023378 0.594760 O\n0.023378 0.594760 0.594760 O\n0.594760 0.594760 0.023378 O\n0.678294 0.678294 0.250618 O\n0.250618 0.678294 0.678294 O\n0.678294 0.250618 0.678294 O\n",
"nsites": 33,
"nelements": 3,
"elements": [
"Ge",
"H",
"O"
],
"chemical_system": "Ge-H-O",
"density": 2.905972274622225,
"density_atomic": 0.06680239524283804,
"volume": 493.9942629308336,
"volume_molar": 9.014857533339184,
"formula_full": "Ge7 H4 O22",
"formula_reduced": "Ge7(H2O11)2",
"formula_anonymous": "A4B7C22",
"energy": -192.04745168,
"energy_per_atom": -5.819619747878788,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -176.93345168,
"band_gap": 0.0905,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9990572,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.422000Z",
"spacegroup": 160
}
]
}