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H\n0.512664 0.958250 0.141598 H\n0.632671 0.366638 0.107783 C\n0.366638 0.107783 0.632671 C\n0.107783 0.632671 0.366638 C\n0.367329 0.633362 0.892217 C\n0.849811 0.142384 0.599800 C\n0.599800 0.849811 0.142384 C\n0.142384 0.599800 0.849811 C\n0.150189 0.857616 0.400200 C\n0.892217 0.367329 0.633362 C\n0.857616 0.400200 0.150189 C\n0.633362 0.892217 0.367329 C\n0.400200 0.150189 0.857616 C\n0.803470 0.254724 0.154839 S\n0.254724 0.154839 0.803470 S\n0.154839 0.803470 0.254724 S\n0.196530 0.745276 0.845161 S\n0.745276 0.845161 0.196530 S\n0.845161 0.196530 0.745276 S\n0.500000 0.500000 0.500000 I\n0.751648 0.751648 0.751648 I\n0.248353 0.248353 0.248353 I\n0.916166 0.210875 0.010438 O\n0.210875 0.010438 0.916166 O\n0.989562 0.083834 0.789125 O\n0.083834 0.789125 0.989562 O\n0.789125 0.989562 0.083834 O\n0.010438 0.916166 0.210875 O\n","nsites":64,"nelements":6,"elements":["Ga","H","C","S","I","O"],"chemical_system":"C-Ga-H-I-O-S","density":1.7731245367714992,"density_atomic":0.0743434302549949,"volume":860.8696125600155,"volume_molar":8.100434348192309,"formula_full":"Ga1 H36 C12 S6 I3 O6","formula_reduced":"GaH36C12S6(IO2)3","formula_anonymous":"AB3C6D6E12F36","energy":-320.30710731,"energy_per_atom":-5.00479855171875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-315.04810731,"band_gap":3.0307,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002445,"is_theoretical":true,"updated_at":"2021-11-28T01:35:32.951000Z","spacegroup":148},{"id":"mp-1184072","created_at":"2022-09-04T14:42:18.168591Z","structure_string":"Dy2 Pd1 Rh1\n1.0\n0.000000 3.472384 3.472384\n3.472384 0.000000 3.472384\n3.472384 3.472384 0.000000\nDy Pd Rh\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Dy\n0.250000 0.250000 0.250000 Dy\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Rh\n","nsites":4,"nelements":3,"elements":["Dy","Pd","Rh"],"chemical_system":"Dy-Pd-Rh","density":10.595995455770021,"density_atomic":0.047769066719832,"volume":83.73619739025263,"volume_molar":12.60677918478115,"formula_full":"Dy2 Pd1 Rh1","formula_reduced":"Dy2PdRh","formula_anonymous":"ABC2","energy":-25.2999402,"energy_per_atom":-6.32498505,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-25.2999402,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0054204,"is_theoretical":true,"updated_at":"2021-11-28T01:35:45.061000Z","spacegroup":225},{"id":"mp-1079429","created_at":"2022-09-04T14:42:20.673868Z","structure_string":"Ho2 Ag2 Se4\n1.0\n-2.831566 2.831566 6.284803\n2.831566 -2.831566 6.284803\n2.831566 2.831566 -6.284803\nHo Ag Se\n2 2 4\ndirect\n0.751032 0.251032 0.500000 Ho\n0.001032 0.001032 0.000000 Ho\n0.291134 0.791134 0.500000 Ag\n0.541134 0.541134 0.000000 Ag\n0.977682 0.477682 0.500000 Se\n0.227682 0.227682 0.000000 Se\n0.520151 0.020151 0.500000 Se\n0.770151 0.770151 0.000000 Se\n","nsites":8,"nelements":3,"elements":["Ho","Ag","Se"],"chemical_system":"Ag-Ho-Se","density":7.096882270888839,"density_atomic":0.039690351840186044,"volume":201.5603195510121,"volume_molar":15.172807699584688,"formula_full":"Ho2 Ag2 Se4","formula_reduced":"HoAgSe2","formula_anonymous":"ABC2","energy":-40.05110658,"energy_per_atom":-5.0063883225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.16310658,"band_gap":0.4761000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004092,"is_theoretical":false,"updated_at":"2021-11-28T01:35:46.237000Z","spacegroup":109}]}