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{
"id": "oqmd-651452",
"created_at": "2022-09-04T15:22:01.730943Z",
"updated_at": "2022-09-04T15:22:01.730975Z",
"structure_string": "Cs12 Ge4 As4 Se20\n1.0\n7.916427 0.000000 -0.065085\n0.000000 9.862999 0.000000\n-3.299207 0.000000 19.765428\nAs Cs Ge Se\n4 12 4 20\ndirect\n0.869950 0.041218 0.199304 As\n0.630049 0.541218 0.300697 As\n0.369951 0.458782 0.699303 As\n0.130049 0.958781 0.800696 As\n0.127459 0.798427 0.043016 Cs\n0.466686 0.292752 0.084392 Cs\n0.081442 0.439179 0.236283 Cs\n0.418558 0.939180 0.263717 Cs\n0.033314 0.792752 0.415608 Cs\n0.372542 0.298427 0.456984 Cs\n0.627458 0.701573 0.543017 Cs\n0.966686 0.207248 0.584392 Cs\n0.581442 0.060821 0.736283 Cs\n0.918558 0.560820 0.763717 Cs\n0.533314 0.707249 0.915608 Cs\n0.872542 0.201573 0.956984 Cs\n0.702070 0.709329 0.129909 Ge\n0.797930 0.209328 0.370091 Ge\n0.202070 0.790672 0.629909 Ge\n0.297931 0.290671 0.870091 Ge\n0.816411 0.541024 0.068877 Se\n0.589223 0.904441 0.072579 Se\n0.075612 0.113704 0.135316 Se\n0.472127 0.614625 0.185411 Se\n0.924596 0.794429 0.223149 Se\n0.575405 0.294429 0.276851 Se\n0.027872 0.114625 0.314589 Se\n0.424388 0.613704 0.364684 Se\n0.910777 0.404440 0.427421 Se\n0.683589 0.041024 0.431123 Se\n0.316412 0.958976 0.568877 Se\n0.089224 0.595560 0.572579 Se\n0.575612 0.386296 0.635316 Se\n0.972128 0.885375 0.685411 Se\n0.424596 0.705571 0.723149 Se\n0.075404 0.205571 0.776851 Se\n0.527872 0.385375 0.814589 Se\n0.924389 0.886296 0.864684 Se\n0.410775 0.095559 0.927421 Se\n0.183589 0.458976 0.931123 Se\n",
"nsites": 40,
"nelements": 4,
"elements": [
"As",
"Cs",
"Ge",
"Se"
],
"chemical_system": "As-Cs-Ge-Se",
"density": 4.055894647529167,
"density_atomic": 0.02595445822065179,
"volume": 1541.161046782023,
"volume_molar": 23.202721893875722,
"formula_full": "Cs12 Ge4 As4 Se20",
"formula_reduced": "Cs3GeAsSe5",
"formula_anonymous": "ABC3D5",
"formation_energy": -0.814908702749999,
"spacegroup": 14
}
]
}