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{
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{
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{
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{
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"structure_string": "Gd1 Co1 C2\n1.0\n2.259247 -3.013866 0.000000\n2.259247 3.013866 0.000000\n0.000000 0.000000 3.633551\nGd Co C\n1 1 2\ndirect\n0.997858 0.002142 0.000000 Gd\n0.611912 0.388088 0.500000 Co\n0.455055 0.849825 0.500000 C\n0.150175 0.544945 0.500000 C\n",
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{
"id": "mp-568524",
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"structure_string": "Cu15 Sn12\n1.0\n3.701355 6.418347 0.000000\n-3.701355 6.418347 0.000000\n0.000000 0.058878 10.308921\nCu Sn\n15 12\ndirect\n0.678477 0.321523 0.000000 Cu\n0.020677 0.996343 0.376850 Cu\n0.003657 0.979323 0.623150 Cu\n0.003849 0.011405 0.125766 Cu\n0.988595 0.996151 0.874234 Cu\n0.027614 0.314302 0.250218 Cu\n0.685698 0.972386 0.749782 Cu\n0.339049 0.313249 0.377216 Cu\n0.686751 0.660951 0.622784 Cu\n0.353821 0.314005 0.125791 Cu\n0.685995 0.646179 0.874209 Cu\n0.702165 0.619107 0.125783 Cu\n0.380893 0.297835 0.874217 Cu\n0.704772 0.632386 0.376524 Cu\n0.367614 0.295228 0.623476 Cu\n0.321804 0.678196 0.000000 Sn\n0.348011 0.651989 0.500000 Sn\n0.377184 0.949275 0.249254 Sn\n0.050725 0.622816 0.750746 Sn\n0.686083 0.956116 0.018840 Sn\n0.043884 0.313917 0.981160 Sn\n0.687125 0.975453 0.480519 Sn\n0.024547 0.312875 0.519481 Sn\n0.661391 0.320964 0.268440 Sn\n0.679036 0.338609 0.731560 Sn\n0.029414 0.671131 0.249367 Sn\n0.328869 0.970586 0.750633 Sn\n",
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{
"id": "mp-1189987",
"created_at": "2022-09-04T14:45:17.768993Z",
"structure_string": "Dy4 Ga12 Fe1\n1.0\n-4.298801 4.298801 4.298801\n4.298801 -4.298801 4.298801\n4.298801 4.298801 -4.298801\nDy Ga Fe\n4 12 1\ndirect\n0.000000 0.000000 0.500000 Dy\n0.000000 0.500000 0.000000 Dy\n0.500000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Dy\n0.750000 0.250000 0.500000 Ga\n0.750000 0.500000 0.250000 Ga\n0.500000 0.250000 0.750000 Ga\n0.250000 0.500000 0.750000 Ga\n0.250000 0.750000 0.500000 Ga\n0.500000 0.750000 0.250000 Ga\n0.718365 0.718365 0.000000 Ga\n0.281635 0.000000 0.281635 Ga\n0.000000 0.281635 0.281635 Ga\n0.281635 0.281635 0.000000 Ga\n0.718365 0.000000 0.718365 Ga\n0.000000 0.718365 0.718365 Ga\n0.000000 0.000000 0.000000 Fe\n",
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{
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{
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{
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{
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{
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"structure_string": "Eu12 Sn8 Pd8\n1.0\n6.011944 0.000000 0.000000\n0.000000 8.812027 0.000000\n0.000000 0.000000 14.095126\nEu Sn Pd\n12 8 8\ndirect\n0.145905 0.392881 0.598379 Eu\n0.854095 0.607119 0.098379 Eu\n0.145905 0.107119 0.401621 Eu\n0.854095 0.892881 0.901621 Eu\n0.854095 0.607119 0.401621 Eu\n0.145905 0.392881 0.901621 Eu\n0.854095 0.892881 0.598379 Eu\n0.145905 0.107119 0.098379 Eu\n0.646401 0.250548 0.750000 Eu\n0.353599 0.749452 0.250000 Eu\n0.646401 0.249452 0.250000 Eu\n0.353599 0.750548 0.750000 Eu\n0.643205 0.250000 0.500000 Sn\n0.356795 0.750000 0.000000 Sn\n0.356795 0.750000 0.500000 Sn\n0.643205 0.250000 0.000000 Sn\n0.149950 0.102139 0.750000 Sn\n0.850050 0.897861 0.250000 Sn\n0.149950 0.397861 0.250000 Sn\n0.850050 0.602139 0.750000 Sn\n0.381027 0.032401 0.588724 Pd\n0.618973 0.967599 0.088724 Pd\n0.381027 0.467599 0.411276 Pd\n0.618973 0.532401 0.911276 Pd\n0.618973 0.967599 0.411276 Pd\n0.381027 0.032401 0.911276 Pd\n0.618973 0.532401 0.588724 Pd\n0.381027 0.467599 0.088724 Pd\n",
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{
"id": "mp-1199281",
"created_at": "2022-09-04T14:47:26.724368Z",
"structure_string": "Pr8 Fe24 Co32 B4\n1.0\n8.732944 0.000000 0.000000\n0.000000 8.732944 0.000000\n0.000000 0.000000 11.876866\nPr Fe Co B\n8 24 32 4\ndirect\n0.230545 0.769455 0.500000 Pr\n0.769455 0.230545 0.500000 Pr\n0.269455 0.269455 0.000000 Pr\n0.730545 0.730545 0.000000 Pr\n0.643146 0.643146 0.500000 Pr\n0.356854 0.356854 0.500000 Pr\n0.856854 0.143146 0.000000 Pr\n0.143146 0.856854 0.000000 Pr\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.115555 Fe\n0.000000 0.000000 0.615555 Fe\n0.500000 0.500000 0.884445 Fe\n0.000000 0.000000 0.384445 Fe\n0.932818 0.723123 0.370439 Fe\n0.067182 0.276877 0.370439 Fe\n0.567182 0.223123 0.870439 Fe\n0.432818 0.776877 0.870439 Fe\n0.067182 0.276877 0.629561 Fe\n0.932818 0.723123 0.629561 Fe\n0.432818 0.776877 0.129561 Fe\n0.567182 0.223123 0.129561 Fe\n0.723123 0.932818 0.370439 Fe\n0.276877 0.067182 0.370439 Fe\n0.223123 0.567182 0.870439 Fe\n0.776877 0.432818 0.870439 Fe\n0.276877 0.067182 0.629561 Fe\n0.723123 0.932818 0.629561 Fe\n0.776877 0.432818 0.129561 Fe\n0.223123 0.567182 0.129561 Fe\n0.182306 0.817694 0.251442 Co\n0.817694 0.182306 0.251442 Co\n0.317694 0.317694 0.751442 Co\n0.682306 0.682306 0.751442 Co\n0.817694 0.182306 0.748558 Co\n0.182306 0.817694 0.748558 Co\n0.682306 0.682306 0.248558 Co\n0.317694 0.317694 0.248558 Co\n0.400387 0.599613 0.290694 Co\n0.599613 0.400387 0.290694 Co\n0.099613 0.099613 0.790694 Co\n0.900387 0.900387 0.790694 Co\n0.599613 0.400387 0.709306 Co\n0.400387 0.599613 0.709306 Co\n0.900387 0.900387 0.209306 Co\n0.099613 0.099613 0.209306 Co\n0.140634 0.535925 0.321294 Co\n0.859366 0.464075 0.321294 Co\n0.359366 0.035925 0.821294 Co\n0.640634 0.964075 0.821294 Co\n0.859366 0.464075 0.678706 Co\n0.140634 0.535925 0.678706 Co\n0.640634 0.964075 0.178706 Co\n0.359366 0.035925 0.178706 Co\n0.535925 0.140634 0.321294 Co\n0.464075 0.859366 0.321294 Co\n0.035925 0.359366 0.821294 Co\n0.964075 0.640634 0.821294 Co\n0.464075 0.859366 0.678706 Co\n0.535925 0.140634 0.678706 Co\n0.964075 0.640634 0.178706 Co\n0.035925 0.359366 0.178706 Co\n0.876025 0.876025 0.500000 B\n0.123975 0.123975 0.500000 B\n0.623975 0.376025 0.000000 B\n0.376025 0.623975 0.000000 B\n",
"nsites": 68,
"nelements": 4,
"elements": [
"Pr",
"Fe",
"Co",
"B"
],
"chemical_system": "B-Co-Fe-Pr",
"density": 8.060231806917862,
"density_atomic": 0.07507333440194773,
"volume": 905.7810012263926,
"volume_molar": 8.021677481057454,
"formula_full": "Pr8 Fe24 Co32 B4",
"formula_reduced": "Pr2Fe6Co8B",
"formula_anonymous": "AB2C6D8",
"energy": -501.87162655,
"energy_per_atom": -7.380465096323529,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -501.87162655,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 96.0968522,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:07.961000Z",
"spacegroup": 136
}
]
}