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{
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"structure_string": "Bi4 Te4 Pd4\n1.0\n6.770177 0.000000 0.000000\n0.000000 6.770177 0.000000\n-0.000000 0.000000 6.770177\nBi Te Pd\n4 4 4\ndirect\n0.368491 0.368491 0.368491 Bi\n0.131509 0.631509 0.868491 Bi\n0.868491 0.131509 0.631509 Bi\n0.631509 0.868491 0.131509 Bi\n0.626061 0.626061 0.626061 Te\n0.873940 0.373940 0.126061 Te\n0.126061 0.873940 0.373940 Te\n0.373940 0.126061 0.873940 Te\n0.004071 0.004071 0.004071 Pd\n0.495929 0.995929 0.504072 Pd\n0.504072 0.495929 0.995929 Pd\n0.995929 0.504072 0.495929 Pd\n",
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"created_at": "2022-09-04T14:37:07.246892Z",
"updated_at": "2022-09-04T14:37:07.246916Z",
"structure_string": "Sr6 Cu2 Pt2 O12\n1.0\n6.733078 0.033209 -0.124149\n-0.131215 6.781741 -0.264387\n0.032151 0.024720 6.788039\nSr Cu Pt O\n6 2 2 12\ndirect\n0.377631 0.611636 0.758701 Sr\n0.122370 0.241299 0.388364 Sr\n0.622370 0.388364 0.241299 Sr\n0.877631 0.758701 0.611635 Sr\n0.750001 0.899434 0.100566 Sr\n0.250000 0.100566 0.899434 Sr\n0.750000 0.304825 0.695175 Cu\n0.250001 0.695175 0.304824 Cu\n0.000000 0.500000 -0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.214749 0.896907 0.524721 O\n0.462281 0.283341 0.604206 O\n0.785251 0.103093 0.475279 O\n0.928782 0.216788 0.074361 O\n0.571219 0.925639 0.783212 O\n0.071219 0.783212 0.925639 O\n0.428782 0.074361 0.216788 O\n0.962281 0.604206 0.283341 O\n0.537720 0.716659 0.395794 O\n0.037720 0.395794 0.716659 O\n0.714749 0.524721 0.896907 O\n0.285252 0.475279 0.103092 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"Pt",
"O"
],
"chemical_system": "Cu-O-Pt-Sr",
"density": 6.614029676881416,
"density_atomic": 0.07095488984152203,
"volume": 310.0561504518867,
"volume_molar": 8.487280825113633,
"formula_full": "Sr6 Cu2 Pt2 O12",
"formula_reduced": "Sr3CuPtO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.4567337981818178,
"spacegroup": 15
}
]
}