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Cd\n0.683819 0.946976 0.613593 H\n0.316181 0.053024 0.386407 H\n0.424094 0.890895 0.620517 H\n0.575906 0.109105 0.379483 H\n0.895112 0.417932 0.635145 H\n0.104888 0.582068 0.364855 H\n0.953606 0.679040 0.628856 H\n0.046394 0.320960 0.371144 H\n0.812285 0.180533 0.839272 H\n0.187715 0.819467 0.160728 H\n0.755118 0.038617 0.984310 H\n0.244882 0.961383 0.015690 H\n0.672745 0.447030 0.174565 H\n0.327255 0.552970 0.825435 H\n0.717336 0.194685 0.171756 H\n0.282664 0.805315 0.828244 H\n0.749158 0.533315 0.832588 H\n0.250842 0.466685 0.167412 H\n0.750344 0.657290 0.989440 H\n0.249656 0.342710 0.010560 H\n0.730535 0.339052 0.993302 C\n0.269465 0.660948 0.006698 C\n0.833613 0.855565 0.277848 S\n0.166387 0.144435 0.722152 S\n0.744304 0.164732 0.927496 N\n0.255696 0.835268 0.072504 N\n0.701781 0.325613 0.121866 N\n0.298219 0.674387 0.878134 N\n0.739996 0.523485 0.931862 N\n0.260004 0.476515 0.068138 N\n0.543002 0.828198 0.607788 O\n0.456998 0.171802 0.392212 O\n0.832559 0.539424 0.628024 O\n0.167441 0.460576 0.371976 O\n0.802465 0.867819 0.132564 O\n0.197535 0.132181 0.867436 O\n0.813496 0.055892 0.342658 O\n0.186504 0.944108 0.657342 O\n0.663038 0.655295 0.318390 O\n0.336962 0.344705 0.681610 O\n0.055566 0.837133 0.318131 O\n0.944434 0.162867 0.681869 O\n","nsites":43,"nelements":6,"elements":["Cd","H","C","S","N","O"],"chemical_system":"C-Cd-H-N-O-S","density":2.0468393056235437,"density_atomic":0.10669929713336912,"volume":403.00171749259056,"volume_molar":5.644030393632871,"formula_full":"Cd1 H20 C2 S2 N6 O12","formula_reduced":"CdH20C2S2(NO2)6","formula_anonymous":"AB2C2D6E12F20","energy":-250.58063327,"energy_per_atom":-5.827456587674418,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-240.17063327,"band_gap":4.4107,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0023595,"is_theoretical":false,"updated_at":"2021-11-28T01:37:09.263000Z","spacegroup":2}]}