{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_uncorrected&page=10181","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_uncorrected&page=10179","results":[{"id":"mp-1069765","created_at":"2022-09-04T14:41:10.410139Z","structure_string":"Sm1 Si3 Rh1\n1.0\n-2.102705 2.102705 4.921542\n2.102705 -2.102705 4.921542\n2.102705 2.102705 -4.921542\nSm Si Rh\n1 3 1\ndirect\n0.999042 0.999042 0.000000 Sm\n0.414461 0.414461 0.000000 Si\n0.263281 0.763281 0.500000 Si\n0.763281 0.263281 0.500000 Si\n0.653935 0.653935 0.000000 Rh\n","nsites":5,"nelements":3,"elements":["Sm","Si","Rh"],"chemical_system":"Rh-Si-Sm","density":6.4392205656824215,"density_atomic":0.057444985281888544,"volume":87.0397994788314,"volume_molar":10.483318483673946,"formula_full":"Sm1 Si3 Rh1","formula_reduced":"SmSi3Rh","formula_anonymous":"ABC3","energy":-32.32920116,"energy_per_atom":-6.465840232,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.32920116,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.8e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:14.966000Z","spacegroup":107},{"id":"mp-1184846","created_at":"2022-09-04T14:48:15.496209Z","structure_string":"Ho1 Th1 Ru2\n1.0\n0.000000 3.473446 3.473446\n3.473446 0.000000 3.473446\n3.473446 3.473446 0.000000\nHo Th Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ho\n0.000000 0.000000 0.000000 Th\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n","nsites":4,"nelements":3,"elements":["Ho","Th","Ru"],"chemical_system":"Ho-Ru-Th","density":11.869784701204749,"density_atomic":0.047725264190931205,"volume":83.81305096599304,"volume_molar":12.618349761056603,"formula_full":"Ho1 Th1 Ru2","formula_reduced":"HoThRu2","formula_anonymous":"ABC2","energy":-32.32792527,"energy_per_atom":-8.0819813175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.32792527,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0018106,"is_theoretical":true,"updated_at":"2021-11-28T01:40:05.019000Z","spacegroup":225},{"id":"mp-5514","created_at":"2022-09-04T14:43:35.940379Z","structure_string":"Tb2 Cu2 Si2\n1.0\n2.078320 -3.599755 0.000000\n2.078320 3.599755 0.000000\n0.000000 0.000000 7.529170\nTb Cu Si\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.000000 0.000000 0.500000 Tb\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.750000 Cu\n0.666667 0.333333 0.250000 Si\n0.333333 0.666667 0.750000 Si\n","nsites":6,"nelements":3,"elements":["Tb","Cu","Si"],"chemical_system":"Cu-Si-Tb","density":7.386231483909955,"density_atomic":0.053258482892111415,"volume":112.65810954762875,"volume_molar":11.307383224188673,"formula_full":"Tb2 Cu2 Si2","formula_reduced":"TbCuSi","formula_anonymous":"ABC","energy":-32.18541817,"energy_per_atom":-5.364236361666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.32741817,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0063266,"is_theoretical":false,"updated_at":"2021-11-28T01:36:13.993000Z","spacegroup":194},{"id":"mp-862756","created_at":"2022-09-04T14:42:13.978216Z","structure_string":"Pr2 Ga6\n1.0\n3.258503 -5.643893 0.000000\n3.258503 5.643893 0.000000\n0.000000 0.000000 4.622851\nPr Ga\n2 6\ndirect\n0.333333 0.666667 0.750000 Pr\n0.666667 0.333333 0.250000 Pr\n0.142349 0.284698 0.250000 Ga\n0.715302 0.857651 0.250000 Ga\n0.142349 0.857651 0.250000 Ga\n0.857651 0.715302 0.750000 Ga\n0.284698 0.142349 0.750000 Ga\n0.857651 0.142349 0.750000 Ga\n","nsites":8,"nelements":2,"elements":["Pr","Ga"],"chemical_system":"Ga-Pr","density":6.837627684045175,"density_atomic":0.04704930350770072,"volume":170.03439803716992,"volume_molar":12.799638487771311,"formula_full":"Pr2 Ga6","formula_reduced":"PrGa3","formula_anonymous":"AB3","energy":-32.32671429,"energy_per_atom":-4.04083928625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.32671429,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0051783,"is_theoretical":true,"updated_at":"2021-11-28T01:35:37.416000Z","spacegroup":194},{"id":"mp-1228933","created_at":"2022-09-04T14:45:23.895836Z","structure_string":"Al1 Co4\n1.0\n10.002101 -1.289337 0.000000\n10.002101 1.289337 0.000000\n9.835897 0.000000 2.227003\nAl Co\n1 4\ndirect\n0.000000 0.000000 0.000000 Al\n0.598855 0.598855 0.598855 Co\n0.200321 0.200321 0.200321 Co\n0.799679 0.799679 0.799679 Co\n0.401145 0.401145 0.401145 Co\n","nsites":5,"nelements":2,"elements":["Al","Co"],"chemical_system":"Al-Co","density":7.594940255047482,"density_atomic":0.08704854676217909,"volume":57.43921278387617,"volume_molar":6.918140490561876,"formula_full":"Al1 Co4","formula_reduced":"AlCo4","formula_anonymous":"AB4","energy":-32.32619853,"energy_per_atom":-6.465239706,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.32619853,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9617287,"is_theoretical":true,"updated_at":"2021-11-28T01:37:06.727000Z","spacegroup":166},{"id":"mp-1206542","created_at":"2022-09-04T14:47:12.233260Z","structure_string":"Dy3 Cd3 Au3\n1.0\n3.940824 -6.825708 0.000000\n3.940824 6.825708 0.000000\n0.000000 0.000000 3.848499\nDy Cd Au\n3 3 3\ndirect\n0.592918 0.000000 0.000000 Dy\n0.000000 0.592918 0.000000 Dy\n0.407082 0.407082 0.000000 Dy\n0.263292 0.000000 0.500000 Cd\n0.000000 0.263292 0.500000 Cd\n0.736708 0.736708 0.500000 Cd\n0.333333 0.666667 0.500000 Au\n0.666667 0.333333 0.500000 Au\n0.000000 0.000000 0.000000 Au\n","nsites":9,"nelements":3,"elements":["Dy","Cd","Au"],"chemical_system":"Au-Cd-Dy","density":11.353860841114392,"density_atomic":0.04346967476532349,"volume":207.0408865165804,"volume_molar":13.853659574200371,"formula_full":"Dy3 Cd3 Au3","formula_reduced":"DyCdAu","formula_anonymous":"ABC","energy":-32.32580837,"energy_per_atom":-3.591756485555555,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.32580837,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007116,"is_theoretical":true,"updated_at":"2021-11-28T01:37:56.994000Z","spacegroup":189},{"id":"mp-22857","created_at":"2022-09-04T14:39:42.972727Z","structure_string":"Cr2 Cl4\n1.0\n3.488991 0.000000 0.000000\n0.000000 6.165321 0.000000\n0.000000 0.000000 6.929747\nCr Cl\n2 4\ndirect\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.500000 0.786348 0.136831 Cl\n0.500000 0.213652 0.863169 Cl\n0.000000 0.713652 0.636831 Cl\n0.000000 0.286348 0.363169 Cl\n","nsites":6,"nelements":2,"elements":["Cr","Cl"],"chemical_system":"Cl-Cr","density":2.738201948906607,"density_atomic":0.04025115332769851,"volume":149.0640516844805,"volume_molar":14.961411691664278,"formula_full":"Cr2 Cl4","formula_reduced":"CrCl2","formula_anonymous":"AB2","energy":-34.78112247,"energy_per_atom":-5.796853745,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.32512247,"band_gap":0.7128999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9997269,"is_theoretical":false,"updated_at":"2021-11-28T01:34:28.422000Z","spacegroup":58},{"id":"mp-862610","created_at":"2022-09-04T14:39:30.938273Z","structure_string":"Li1 Hf1 Ir2\n1.0\n0.000000 3.132453 3.132453\n3.132453 0.000000 3.132453\n3.132453 3.132453 0.000000\nLi Hf Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Hf\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n","nsites":4,"nelements":3,"elements":["Li","Hf","Ir"],"chemical_system":"Hf-Ir-Li","density":15.393500696199652,"density_atomic":0.06506932555163632,"volume":61.472897806905436,"volume_molar":9.254961087956994,"formula_full":"Li1 Hf1 Ir2","formula_reduced":"LiHfIr2","formula_anonymous":"ABC2","energy":-32.32389778,"energy_per_atom":-8.080974445,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.32389778,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0015749,"is_theoretical":true,"updated_at":"2021-11-28T01:34:31.158000Z","spacegroup":225},{"id":"mp-1220314","created_at":"2022-09-04T14:42:11.081352Z","structure_string":"Nb1 O2 F1\n1.0\n3.909373 0.000000 0.000000\n0.000000 3.909373 0.000000\n0.000000 0.000000 4.155344\nNb O F\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 F\n","nsites":4,"nelements":3,"elements":["Nb","O","F"],"chemical_system":"F-Nb-O","density":3.7626992290459644,"density_atomic":0.06298524025269418,"volume":63.506942006606074,"volume_molar":9.561193600023465,"formula_full":"Nb1 O2 F1","formula_reduced":"NbO2F","formula_anonymous":"ABC2","energy":-34.15941246,"energy_per_atom":-8.539853115,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.32341246,"band_gap":0.89,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.95e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:37.990000Z","spacegroup":123},{"id":"mp-1186350","created_at":"2022-09-04T14:40:42.795507Z","structure_string":"Ni1 Ir3\n1.0\n-1.898299 1.898299 3.812526\n1.898299 -1.898299 3.812526\n1.898299 1.898299 -3.812526\nNi Ir\n1 3\ndirect\n0.000000 0.000000 0.000000 Ni\n0.750000 0.250000 0.500000 Ir\n0.250000 0.750000 0.500000 Ir\n0.500000 0.500000 0.000000 Ir\n","nsites":4,"nelements":2,"elements":["Ni","Ir"],"chemical_system":"Ir-Ni","density":19.19801207443626,"density_atomic":0.07278769188137217,"volume":54.95434594243096,"volume_molar":8.273570165976354,"formula_full":"Ni1 Ir3","formula_reduced":"NiIr3","formula_anonymous":"AB3","energy":-32.32184702,"energy_per_atom":-8.080461755,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.32184702,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.2283473,"is_theoretical":true,"updated_at":"2021-11-28T01:35:08.783000Z","spacegroup":139},{"id":"mp-1187288","created_at":"2022-09-04T14:39:22.627116Z","structure_string":"Sr1 Eu3\n1.0\n-2.813548 2.813548 5.841775\n2.813548 -2.813548 5.841775\n2.813548 2.813548 -5.841775\nSr Eu\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.500000 Eu\n0.250000 0.750000 0.500000 Eu\n0.500000 0.500000 0.000000 Eu\n","nsites":4,"nelements":2,"elements":["Sr","Eu"],"chemical_system":"Eu-Sr","density":4.879156629828673,"density_atomic":0.021624522016124473,"volume":184.9751868280544,"volume_molar":27.84866530464604,"formula_full":"Sr1 Eu3","formula_reduced":"SrEu3","formula_anonymous":"AB3","energy":-32.32055591,"energy_per_atom":-8.0801389775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.32055591,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":22.1590864,"is_theoretical":true,"updated_at":"2021-11-28T01:34:41.419000Z","spacegroup":139},{"id":"mp-1187181","created_at":"2022-09-04T14:41:50.373838Z","structure_string":"Sr1 Eu3\n1.0\n0.000000 4.505465 4.505465\n4.505465 0.000000 4.505465\n4.505465 4.505465 0.000000\nSr Eu\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Eu\n","nsites":4,"nelements":2,"elements":["Sr","Eu"],"chemical_system":"Eu-Sr","density":4.934116257246558,"density_atomic":0.021868104209372855,"volume":182.91480421451286,"volume_molar":27.53846745169094,"formula_full":"Sr1 Eu3","formula_reduced":"SrEu3","formula_anonymous":"AB3","energy":-32.32025029,"energy_per_atom":-8.0800625725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.32025029,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":21.6021482,"is_theoretical":true,"updated_at":"2021-11-28T01:35:30.853000Z","spacegroup":225}]}