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{
"id": "mp-560214",
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{
"id": "mp-562177",
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"structure_string": "Ba4 Ca4 Co16 O28\n1.0\n6.400249 0.000000 0.000000\n0.000000 10.301096 0.000000\n0.000000 0.000000 11.103063\nBa Ca Co O\n4 4 16 28\ndirect\n0.505031 0.996983 0.164329 Ba\n0.005031 0.496983 0.335671 Ba\n0.994969 0.996983 0.664329 Ba\n0.494969 0.496983 0.835671 Ba\n0.504816 0.126792 0.826033 Ca\n0.495184 0.626792 0.173967 Ca\n0.995184 0.126792 0.326033 Ca\n0.004816 0.626792 0.673967 Ca\n0.237722 0.818549 0.421076 Co\n0.737722 0.318549 0.078924 Co\n0.998091 0.811540 0.173867 Co\n0.250551 0.306342 0.585632 Co\n0.749449 0.806342 0.414368 Co\n0.249449 0.306342 0.085632 Co\n0.501909 0.811540 0.673867 Co\n0.496899 0.554106 0.502205 Co\n0.498091 0.311540 0.326133 Co\n0.996899 0.054106 0.997795 Co\n0.762278 0.318549 0.578924 Co\n0.003101 0.554106 0.002205 Co\n0.001909 0.311540 0.826133 Co\n0.503101 0.054106 0.497795 Co\n0.750551 0.806342 0.914368 Co\n0.262278 0.818549 0.921076 Co\n0.487935 0.744724 0.501678 O\n0.069358 0.496298 0.846459 O\n0.430642 0.496298 0.346459 O\n0.930642 0.996298 0.153541 O\n0.211081 0.216161 0.736599 O\n0.987935 0.244724 0.998322 O\n0.270836 0.791743 0.259191 O\n0.770836 0.291743 0.240809 O\n0.715716 0.996883 0.398657 O\n0.288919 0.216161 0.236599 O\n0.711081 0.716161 0.763401 O\n0.012065 0.744724 0.001678 O\n0.764866 0.504300 0.550205 O\n0.992449 0.269380 0.492367 O\n0.229164 0.791743 0.759191 O\n0.007551 0.769380 0.507633 O\n0.784284 0.996883 0.898657 O\n0.264866 0.004300 0.949795 O\n0.507551 0.269380 0.992367 O\n0.235134 0.004300 0.449795 O\n0.569358 0.996298 0.653541 O\n0.215716 0.496883 0.101343 O\n0.512065 0.244724 0.498322 O\n0.729164 0.291743 0.740809 O\n0.284284 0.496883 0.601343 O\n0.735134 0.504300 0.050205 O\n0.788919 0.716161 0.263401 O\n0.492449 0.769380 0.007633 O\n",
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],
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"formula_full": "Ba4 Ca4 Co16 O28",
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"spacegroup": 33
},
{
"id": "mp-14373",
"created_at": "2022-09-04T14:40:31.545250Z",
"structure_string": "Y6 B14 W2\n1.0\n1.736599 -8.008882 0.000000\n1.736599 8.008882 0.000000\n0.000000 0.000000 9.499726\nY B W\n6 14 2\ndirect\n0.893376 0.106624 0.939673 Y\n0.106624 0.893376 0.060327 Y\n0.756142 0.243858 0.250000 Y\n0.243858 0.756142 0.750000 Y\n0.893376 0.106624 0.560327 Y\n0.106624 0.893376 0.439673 Y\n0.543804 0.456196 0.250000 B\n0.456196 0.543804 0.750000 B\n0.519737 0.480263 0.907952 B\n0.480263 0.519737 0.092048 B\n0.480263 0.519737 0.407952 B\n0.519737 0.480263 0.592048 B\n0.634879 0.365121 0.852666 B\n0.365121 0.634879 0.147334 B\n0.727463 0.272537 0.967094 B\n0.272537 0.727463 0.032906 B\n0.272537 0.727463 0.467094 B\n0.727463 0.272537 0.532906 B\n0.634879 0.365121 0.647334 B\n0.365121 0.634879 0.352666 B\n0.053531 0.946469 0.750000 W\n0.946469 0.053531 0.250000 W\n",
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"elements": [
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"density_atomic": 0.08325496919262763,
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"formula_full": "Y6 B14 W2",
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"spacegroup": 63
},
{
"id": "mp-2408",
"created_at": "2022-09-04T14:40:29.757553Z",
"structure_string": "Ga6 Pd10\n1.0\n4.080895 0.000000 0.000000\n0.000000 5.493684 0.000000\n0.000000 0.000000 10.700310\nGa Pd\n6 10\ndirect\n0.000000 0.838120 0.645946 Ga\n0.000000 0.338120 0.854054 Ga\n0.500000 0.500000 0.500000 Ga\n0.000000 0.161880 0.354054 Ga\n0.500000 0.000000 0.000000 Ga\n0.000000 0.661880 0.145946 Ga\n0.000000 0.808234 0.895795 Pd\n0.000000 0.691766 0.395795 Pd\n0.000000 0.308234 0.604205 Pd\n0.500000 0.917067 0.234179 Pd\n0.500000 0.417067 0.265821 Pd\n0.500000 0.582933 0.734179 Pd\n0.500000 0.082933 0.765821 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.000000 0.191766 0.104205 Pd\n",
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"elements": [
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],
"chemical_system": "Ga-Pd",
"density": 10.26217640659337,
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"volume": 239.89182890457184,
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{
"id": "mp-637680",
"created_at": "2022-09-04T14:40:29.906171Z",
"structure_string": "K16 Mo32 O104\n1.0\n7.721765 0.000000 0.000000\n0.000000 15.710452 0.000000\n0.000000 0.000000 18.971844\nK Mo O\n16 32 104\ndirect\n0.107065 0.529721 0.084352 K\n0.229455 0.284071 0.067126 K\n0.729455 0.215929 0.932874 K\n0.392935 0.470279 0.584352 K\n0.729455 0.284071 0.432874 K\n0.270545 0.784071 0.067126 K\n0.107065 0.970279 0.584352 K\n0.892935 0.470279 0.915648 K\n0.270545 0.715929 0.567126 K\n0.770545 0.715929 0.932874 K\n0.892935 0.029721 0.415648 K\n0.392935 0.029721 0.084352 K\n0.607065 0.970279 0.915648 K\n0.229455 0.215929 0.567126 K\n0.607065 0.529721 0.415648 K\n0.770545 0.784071 0.432874 K\n0.171992 0.568463 0.743926 Mo\n0.671992 0.568463 0.756074 Mo\n0.394243 0.432107 0.892628 Mo\n0.105757 0.932107 0.892628 Mo\n0.793930 0.638392 0.597736 Mo\n0.394243 0.067893 0.392628 Mo\n0.605757 0.932107 0.607372 Mo\n0.579007 0.777447 0.750979 Mo\n0.828008 0.068463 0.756074 Mo\n0.828008 0.431537 0.256074 Mo\n0.920993 0.277447 0.750979 Mo\n0.206070 0.361608 0.402264 Mo\n0.206070 0.138392 0.902264 Mo\n0.105757 0.567893 0.392628 Mo\n0.293930 0.861608 0.402264 Mo\n0.894243 0.067893 0.107372 Mo\n0.579007 0.722553 0.250979 Mo\n0.894243 0.432107 0.607372 Mo\n0.793930 0.861608 0.097736 Mo\n0.420993 0.277447 0.749021 Mo\n0.171992 0.931537 0.243926 Mo\n0.920993 0.222553 0.250979 Mo\n0.420993 0.222553 0.249021 Mo\n0.079007 0.777447 0.749021 Mo\n0.328008 0.431537 0.243926 Mo\n0.605757 0.567893 0.107372 Mo\n0.328008 0.068463 0.743926 Mo\n0.671992 0.931537 0.256074 Mo\n0.706070 0.361608 0.097736 Mo\n0.293930 0.638392 0.902264 Mo\n0.706070 0.138392 0.597736 Mo\n0.079007 0.722553 0.249021 Mo\n0.192710 0.677757 0.816058 O\n0.169103 0.853070 0.819646 O\n0.735798 0.086448 0.043052 O\n0.426987 0.333159 0.195038 O\n0.100448 0.227215 0.936791 O\n0.735798 0.413552 0.543052 O\n0.830897 0.146930 0.180354 O\n0.923308 0.515640 0.304798 O\n0.235798 0.086448 0.456948 O\n0.073013 0.666841 0.695038 O\n0.222116 0.520799 0.832757 O\n0.613808 0.622680 0.542781 O\n0.865390 0.770112 0.784124 O\n0.423308 0.515640 0.195202 O\n0.722116 0.520799 0.667243 O\n0.100448 0.272785 0.436791 O\n0.777884 0.479201 0.167243 O\n0.945011 0.342327 0.823848 O\n0.886192 0.377320 0.042781 O\n0.634610 0.229888 0.284124 O\n0.134610 0.270112 0.715876 O\n0.807290 0.177757 0.683942 O\n0.422291 0.620507 0.075889 O\n0.445011 0.157673 0.176152 O\n0.764202 0.586448 0.043052 O\n0.634610 0.270112 0.784124 O\n0.692710 0.822243 0.183942 O\n0.617243 0.072445 0.793693 O\n0.882757 0.572445 0.793693 O\n0.669103 0.853070 0.680354 O\n0.764202 0.913552 0.543052 O\n0.617243 0.427555 0.293693 O\n0.692710 0.677757 0.683942 O\n0.545711 0.449914 0.075743 O\n0.445011 0.342327 0.676152 O\n0.073013 0.833159 0.195038 O\n0.382757 0.572445 0.706307 O\n0.134610 0.229888 0.215876 O\n0.573013 0.666841 0.804962 O\n0.922291 0.879493 0.924111 O\n0.382757 0.927555 0.206307 O\n0.554989 0.657673 0.323848 O\n0.399552 0.772785 0.436791 O\n0.423308 0.984360 0.695202 O\n0.117243 0.072445 0.706307 O\n0.926987 0.166841 0.804962 O\n0.454289 0.949914 0.424257 O\n0.192710 0.822243 0.316058 O\n0.113808 0.877320 0.457219 O\n0.386192 0.122680 0.957219 O\n0.922291 0.620507 0.424111 O\n0.076692 0.015640 0.195202 O\n0.077709 0.120507 0.075889 O\n0.722116 0.979201 0.167243 O\n0.077709 0.379493 0.575889 O\n0.807290 0.322243 0.183942 O\n0.882757 0.927555 0.293693 O\n0.577709 0.379493 0.924111 O\n0.264202 0.913552 0.956948 O\n0.926987 0.333159 0.304962 O\n0.386192 0.377320 0.457219 O\n0.923308 0.984360 0.804798 O\n0.600448 0.227215 0.563209 O\n0.573013 0.833159 0.304962 O\n0.307290 0.177757 0.816058 O\n0.365390 0.770112 0.715876 O\n0.899552 0.727215 0.563209 O\n0.277884 0.020799 0.832757 O\n0.945011 0.157673 0.323848 O\n0.600448 0.272785 0.063209 O\n0.454289 0.550086 0.924257 O\n0.830897 0.353070 0.680354 O\n0.545711 0.050086 0.575743 O\n0.222116 0.979201 0.332757 O\n0.576692 0.484360 0.804798 O\n0.954289 0.550086 0.575743 O\n0.054989 0.657673 0.176152 O\n0.669103 0.646930 0.180354 O\n0.045711 0.050086 0.924257 O\n0.777884 0.020799 0.667243 O\n0.577709 0.120507 0.424111 O\n0.330897 0.353070 0.819646 O\n0.426987 0.166841 0.695038 O\n0.613808 0.877320 0.042781 O\n0.113808 0.622680 0.957219 O\n0.169103 0.646930 0.319646 O\n0.045711 0.449914 0.424257 O\n0.235798 0.413552 0.956948 O\n0.264202 0.586448 0.456948 O\n0.954289 0.949914 0.075743 O\n0.554989 0.842327 0.823848 O\n0.886192 0.122680 0.542781 O\n0.399552 0.727215 0.936791 O\n0.330897 0.146930 0.319646 O\n0.117243 0.427555 0.206307 O\n0.277884 0.479201 0.332757 O\n0.422291 0.879493 0.575889 O\n0.307290 0.322243 0.316058 O\n0.076692 0.484360 0.695202 O\n0.899552 0.772785 0.063209 O\n0.054989 0.842327 0.676152 O\n0.865390 0.729888 0.284124 O\n0.576692 0.015640 0.304798 O\n0.365390 0.729888 0.215876 O\n",
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{
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"structure_string": "Th2 Ga8 Co2\n1.0\n2.097232 -7.846958 0.000000\n2.097232 7.846958 0.000000\n0.000000 0.000000 6.598738\nTh Ga Co\n2 8 2\ndirect\n0.384016 0.615984 0.750000 Th\n0.615984 0.384016 0.250000 Th\n0.000000 0.000000 0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n0.810115 0.189885 0.055046 Ga\n0.189885 0.810115 0.944954 Ga\n0.189885 0.810115 0.555046 Ga\n0.810115 0.189885 0.444954 Ga\n0.423034 0.576966 0.250000 Ga\n0.576966 0.423034 0.750000 Ga\n0.726042 0.273958 0.750000 Co\n0.273958 0.726042 0.250000 Co\n",
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{
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