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"volume_molar": 8.60289362648397,
"formula_full": "Sr2 Y1 Tl1 Cr2 O7",
"formula_reduced": "Sr2YTlCr2O7",
"formula_anonymous": "ABC2D2E7",
"energy_above_hull": 2.4164315361538464,
"spacegroup": 123
},
{
"id": "jvasp-44556",
"created_at": "2022-09-04T14:38:15.159908Z",
"updated_at": "2022-09-04T14:38:15.159936Z",
"structure_string": "K2 Ti2 P2 C2 O14\n1.0\n0.000000 5.216988 -0.438990\n6.358962 0.000000 0.000000\n0.000000 0.595946 -9.287602\nK Ti P C O\n2 2 2 2 14\ndirect\n0.907024 0.639664 0.153676 K\n0.092977 0.139664 0.846324 K\n0.264268 0.231270 0.338056 Ti\n0.735733 0.731270 0.661944 Ti\n0.296107 0.734411 0.439144 P\n0.703894 0.234411 0.560856 P\n0.473903 0.239125 0.084428 C\n0.526098 0.739125 0.915572 C\n0.399093 0.746625 0.803245 O\n0.735077 0.427834 0.656272 O\n0.738651 0.041246 0.654633 O\n0.088844 0.738302 0.575097 O\n0.434762 0.233213 0.511820 O\n0.565239 0.733213 0.488179 O\n0.600908 0.246625 0.196755 O\n0.261350 0.541245 0.345367 O\n0.264924 0.927834 0.343727 O\n0.783067 0.738142 0.869774 O\n0.216935 0.238142 0.130226 O\n0.429744 0.732313 0.044964 O\n0.911157 0.238303 0.424902 O\n0.570256 0.232313 -0.044964 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"K",
"Ti",
"P",
"C",
"O"
],
"chemical_system": "C-K-O-P-Ti",
"density": 2.6220340818507446,
"density_atomic": 0.0717900506737431,
"volume": 306.44914989656644,
"volume_molar": 8.38854507481574,
"formula_full": "K2 Ti2 P2 C2 O14",
"formula_reduced": "KTiPCO7",
"formula_anonymous": "ABCDE7",
"energy_above_hull": 2.9529360303030296,
"spacegroup": 4
}
]
}