{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=structure_string&page=7","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=structure_string&page=5","results":[{"id":"mp-1183145","created_at":"2022-09-04T14:43:09.433815Z","structure_string":"Ac1 Pd1 O3\n1.0\n4.092396 0.000000 0.000000\n0.000000 4.092396 0.000000\n0.000000 0.000000 4.092396\nAc Pd O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.500000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Ac","Pd","O"],"chemical_system":"Ac-O-Pd","density":9.24096989119086,"density_atomic":0.07295197431966387,"volume":68.53824103636731,"volume_molar":8.254938699276245,"formula_full":"Ac1 Pd1 O3","formula_reduced":"AcPdO3","formula_anonymous":"ABC3","energy":-35.32971686,"energy_per_atom":-7.065943372,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.26871686,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.75e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:57.760000Z","spacegroup":221},{"id":"mp-1183241","created_at":"2022-09-04T14:48:21.580374Z","structure_string":"Ac1 Pm3\n1.0\n-2.640212 2.640212 5.296971\n2.640212 -2.640212 5.296971\n2.640212 2.640212 -5.296971\nAc Pm\n1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.750000 0.250000 0.500000 Pm\n0.250000 0.750000 0.500000 Pm\n0.500000 0.500000 0.000000 Pm\n","nsites":4,"nelements":2,"elements":["Ac","Pm"],"chemical_system":"Ac-Pm","density":7.442895116424425,"density_atomic":0.02708287738278795,"volume":147.6947941485025,"volume_molar":22.235970997037658,"formula_full":"Ac1 Pm3","formula_reduced":"AcPm3","formula_anonymous":"AB3","energy":-18.20579816,"energy_per_atom":-4.55144954,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.20579816,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0107568,"is_theoretical":true,"updated_at":"2021-11-28T01:39:33.657000Z","spacegroup":139},{"id":"mp-1183181","created_at":"2022-09-04T14:39:24.137456Z","structure_string":"Ac1 Pr1 Mg2\n1.0\n0.000000 4.009203 4.009203\n4.009203 0.000000 4.009203\n4.009203 4.009203 0.000000\nAc Pr Mg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Pr\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n","nsites":4,"nelements":3,"elements":["Ac","Pr","Mg"],"chemical_system":"Ac-Mg-Pr","density":5.366342299055812,"density_atomic":0.0310352934166647,"volume":128.88552224391606,"volume_molar":19.40416892197434,"formula_full":"Ac1 Pr1 Mg2","formula_reduced":"AcPrMg2","formula_anonymous":"ABC2","energy":-12.40660393,"energy_per_atom":-3.1016509825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.40660393,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007754,"is_theoretical":true,"updated_at":"2021-11-28T01:34:43.609000Z","spacegroup":225},{"id":"mp-1183239","created_at":"2022-09-04T14:46:52.421596Z","structure_string":"Ac1 Pr3\n1.0\n-2.669121 2.669121 5.354120\n2.669121 -2.669121 5.354120\n2.669121 2.669121 -5.354120\nAc Pr\n1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.750000 0.250000 0.500000 Pr\n0.250000 0.750000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n","nsites":4,"nelements":2,"elements":["Ac","Pr"],"chemical_system":"Ac-Pr","density":7.0711929605737,"density_atomic":0.026216540058750872,"volume":152.57543486043772,"volume_molar":22.970768631194172,"formula_full":"Ac1 Pr3","formula_reduced":"AcPr3","formula_anonymous":"AB3","energy":-18.34051011,"energy_per_atom":-4.5851275275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.34051011,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0171883,"is_theoretical":true,"updated_at":"2021-11-28T01:37:43.254000Z","spacegroup":139},{"id":"mp-1183220","created_at":"2022-09-04T14:42:07.436827Z","structure_string":"Ac1 Rh2 Pb1\n1.0\n0.000000 3.545546 3.545546\n3.545546 0.000000 3.545546\n3.545546 3.545546 0.000000\nAc Rh Pb\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ac\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n0.000000 0.000000 0.000000 Pb\n","nsites":4,"nelements":3,"elements":["Ac","Rh","Pb"],"chemical_system":"Ac-Pb-Rh","density":11.922220979954322,"density_atomic":0.04487253683947412,"volume":89.14138316515286,"volume_molar":13.420548924041121,"formula_full":"Ac1 Rh2 Pb1","formula_reduced":"AcRh2Pb","formula_anonymous":"ABC2","energy":-23.90096423,"energy_per_atom":-5.9752410575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.90096423,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0431731,"is_theoretical":true,"updated_at":"2021-11-28T01:35:31.356000Z","spacegroup":225},{"id":"mp-862894","created_at":"2022-09-04T14:48:29.651227Z","structure_string":"Ac1 Sb1 Au2\n1.0\n0.000000 3.724962 3.724962\n3.724962 0.000000 3.724962\n3.724962 3.724962 0.000000\nAc Sb Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Sb\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n","nsites":4,"nelements":3,"elements":["Ac","Sb","Au"],"chemical_system":"Ac-Au-Sb","density":11.93061889621825,"density_atomic":0.038695855769046425,"volume":103.3702426397733,"volume_molar":15.562753789301718,"formula_full":"Ac1 Sb1 Au2","formula_reduced":"AcSbAu2","formula_anonymous":"ABC2","energy":-17.67597375,"energy_per_atom":-4.4189934375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.48397375,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000128,"is_theoretical":true,"updated_at":"2021-11-28T01:39:49.016000Z","spacegroup":225},{"id":"mp-1183152","created_at":"2022-09-04T14:43:06.296637Z","structure_string":"Ac1 Sc1 O3\n1.0\n4.125046 0.000000 0.000000\n0.000000 4.125046 0.000000\n0.000000 0.000000 4.125046\nAc Sc O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.500000 0.500000 0.500000 Sc\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Ac","Sc","O"],"chemical_system":"Ac-O-Sc","density":7.569207408829243,"density_atomic":0.07123339060783351,"volume":70.19180130743561,"volume_molar":8.454098153426585,"formula_full":"Ac1 Sc1 O3","formula_reduced":"AcScO3","formula_anonymous":"ABC3","energy":-44.44282928,"energy_per_atom":-8.888565856,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.38182928,"band_gap":3.3847000000000005,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":7.43e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:00.202000Z","spacegroup":221},{"id":"mp-1183234","created_at":"2022-09-04T14:47:08.778279Z","structure_string":"Ac1 Se3\n1.0\n-2.175476 2.175476 5.434144\n2.175476 -2.175476 5.434144\n2.175476 2.175476 -5.434144\nAc Se\n1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.750000 0.250000 0.500000 Se\n0.250000 0.750000 0.500000 Se\n0.500000 0.500000 0.000000 Se\n","nsites":4,"nelements":2,"elements":["Ac","Se"],"chemical_system":"Ac-Se","density":7.487813502825031,"density_atomic":0.03888304467898945,"volume":102.87260251925206,"volume_molar":15.487832317961663,"formula_full":"Ac1 Se3","formula_reduced":"AcSe3","formula_anonymous":"AB3","energy":-20.21366468,"energy_per_atom":-5.05341617,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.79766468,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0015995,"is_theoretical":true,"updated_at":"2021-11-28T01:37:56.534000Z","spacegroup":139},{"id":"mp-1183150","created_at":"2022-09-04T14:43:03.659729Z","structure_string":"Ac1 Si1 O3\n1.0\n3.970175 0.000000 0.000000\n0.000000 3.970175 0.000000\n0.000000 0.000000 3.970175\nAc Si O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.500000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Ac","Si","O"],"chemical_system":"Ac-O-Si","density":8.042345508493089,"density_atomic":0.07989894657719346,"volume":62.5790478372491,"volume_molar":7.537196694053753,"formula_full":"Ac1 Si1 O3","formula_reduced":"AcSiO3","formula_anonymous":"ABC3","energy":-38.73160797,"energy_per_atom":-7.746321593999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.67060797,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000274,"is_theoretical":true,"updated_at":"2021-11-28T01:36:14.711000Z","spacegroup":221},{"id":"mp-1183230","created_at":"2022-09-04T14:44:09.945782Z","structure_string":"Ac1 Sm3\n1.0\n-2.624721 2.624721 5.274311\n2.624721 -2.624721 5.274311\n2.624721 2.624721 -5.274311\nAc Sm\n1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.750000 0.250000 0.500000 Sm\n0.250000 0.750000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n","nsites":4,"nelements":2,"elements":["Ac","Sm"],"chemical_system":"Ac-Sm","density":7.747079537304917,"density_atomic":0.027521238478461836,"volume":145.34229639158158,"volume_molar":21.881794181293607,"formula_full":"Ac1 Sm3","formula_reduced":"AcSm3","formula_anonymous":"AB3","energy":-18.08810888,"energy_per_atom":-4.52202722,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.08810888,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0023811,"is_theoretical":true,"updated_at":"2021-11-28T01:36:27.627000Z","spacegroup":139},{"id":"mp-865957","created_at":"2022-09-04T14:43:58.046267Z","structure_string":"Ac1 Sn1 Au2\n1.0\n0.000000 3.720817 3.720817\n3.720817 0.000000 3.720817\n3.720817 3.720817 0.000000\nAc Sn Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Sn\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n","nsites":4,"nelements":3,"elements":["Ac","Sn","Au"],"chemical_system":"Ac-Au-Sn","density":11.92137644399923,"density_atomic":0.03882532174510432,"volume":103.02554673624515,"volume_molar":15.510858608040673,"formula_full":"Ac1 Sn1 Au2","formula_reduced":"AcSnAu2","formula_anonymous":"ABC2","energy":-17.41727312,"energy_per_atom":-4.35431828,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.41727312,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006797,"is_theoretical":true,"updated_at":"2021-11-28T01:36:34.629000Z","spacegroup":225},{"id":"mp-1183197","created_at":"2022-09-04T14:47:14.162176Z","structure_string":"Ac1 Sn1 Hg2\n1.0\n0.000000 3.861451 3.861451\n3.861451 0.000000 3.861451\n3.861451 3.861451 0.000000\nAc Sn Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n","nsites":4,"nelements":3,"elements":["Ac","Sn","Hg"],"chemical_system":"Ac-Hg-Sn","density":10.770209766188444,"density_atomic":0.03473588841683655,"volume":115.15467668479705,"volume_molar":17.33694180420345,"formula_full":"Ac1 Sn1 Hg2","formula_reduced":"AcSnHg2","formula_anonymous":"ABC2","energy":-10.41129725,"energy_per_atom":-2.6028243125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.41129725,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010664,"is_theoretical":true,"updated_at":"2021-11-28T01:37:55.563000Z","spacegroup":225}]}