{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-structure_string&page=12189","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-structure_string&page=12187","results":[{"id":"mp-865952","created_at":"2022-09-04T14:46:09.517675Z","structure_string":"Ac1 Tl1 Au2\n1.0\n0.000000 3.756255 3.756255\n3.756255 0.000000 3.756255\n3.756255 3.756255 0.000000\nAc Tl Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Tl\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n","nsites":4,"nelements":3,"elements":["Ac","Tl","Au"],"chemical_system":"Ac-Au-Tl","density":12.929281603094049,"density_atomic":0.03773677594746671,"volume":105.99739642751655,"volume_molar":15.958281037000644,"formula_full":"Ac1 Tl1 Au2","formula_reduced":"AcTlAu2","formula_anonymous":"ABC2","energy":-15.41500908,"energy_per_atom":-3.85375227,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.41500908,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0014575,"is_theoretical":true,"updated_at":"2021-11-28T01:37:17.217000Z","spacegroup":225},{"id":"mp-865958","created_at":"2022-09-04T14:39:20.086205Z","structure_string":"Ac1 Tl1 Ag2\n1.0\n0.000000 3.754637 3.754637\n3.754637 0.000000 3.754637\n3.754637 3.754637 0.000000\nAc Tl Ag\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Ag\n","nsites":4,"nelements":3,"elements":["Ac","Tl","Ag"],"chemical_system":"Ac-Ag-Tl","density":10.150790302897347,"density_atomic":0.03778558313116779,"volume":105.86048086420989,"volume_molar":15.937667917138961,"formula_full":"Ac1 Tl1 Ag2","formula_reduced":"AcTlAg2","formula_anonymous":"ABC2","energy":-13.05942509,"energy_per_atom":-3.2648562725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.05942509,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000127,"is_theoretical":true,"updated_at":"2021-11-28T01:34:40Z","spacegroup":225},{"id":"mp-865927","created_at":"2022-09-04T14:39:20.158200Z","structure_string":"Ac1 Ti1 O3\n1.0\n4.014814 0.000000 0.000000\n0.000000 4.014814 0.000000\n0.000000 0.000000 4.014814\nAc Ti O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.500000 0.500000 0.500000 Ti\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","Ti","O"],"chemical_system":"Ac-O-Ti","density":8.28464769775514,"density_atomic":0.07726338205562687,"volume":64.7137087061524,"volume_molar":7.794301258601746,"formula_full":"Ac1 Ti1 O3","formula_reduced":"AcTiO3","formula_anonymous":"ABC3","energy":-44.89872873,"energy_per_atom":-8.979745746,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.83772873,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0040096,"is_theoretical":true,"updated_at":"2021-11-28T01:34:42.131000Z","spacegroup":221},{"id":"mp-1183157","created_at":"2022-09-04T14:42:47.294853Z","structure_string":"Ac1 Th1\n1.0\n3.742236 0.000000 0.000000\n-1.871117 3.240879 0.000000\n0.000000 0.000000 6.189603\nAc Th\n1 1\ndirect\n0.666665 0.333334 0.750000 Ac\n0.333333 0.666667 0.250001 Th\n","nsites":2,"nelements":2,"elements":["Ac","Th"],"chemical_system":"Ac-Th","density":10.154090026482757,"density_atomic":0.02664239189679532,"volume":75.06833499587438,"volume_molar":22.60360399819948,"formula_full":"Ac1 Th1","formula_reduced":"AcTh","formula_anonymous":"AB","energy":-11.19928153,"energy_per_atom":-5.599640765,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.19928153,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0072855,"is_theoretical":true,"updated_at":"2021-11-28T01:35:53.888000Z","spacegroup":187},{"id":"mp-865558","created_at":"2022-09-04T14:41:46.875803Z","structure_string":"Ac1 Te3\n1.0\n-2.346792 2.346792 5.835390\n2.346792 -2.346792 5.835390\n2.346792 2.346792 -5.835390\nAc Te\n1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.750000 0.250000 0.500000 Te\n0.250000 0.750000 0.500000 Te\n0.500000 0.500000 0.000000 Te\n","nsites":4,"nelements":2,"elements":["Ac","Te"],"chemical_system":"Ac-Te","density":7.876938255563177,"density_atomic":0.031115795965380905,"volume":128.55207060910016,"volume_molar":19.353966604936502,"formula_full":"Ac1 Te3","formula_reduced":"AcTe3","formula_anonymous":"AB3","energy":-18.36135761,"energy_per_atom":-4.5903394025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.09535761,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002024,"is_theoretical":true,"updated_at":"2021-11-28T01:35:25.158000Z","spacegroup":139},{"id":"mp-1183217","created_at":"2022-09-04T14:47:09.219791Z","structure_string":"Ac1 Tb3\n1.0\n-2.604316 2.604316 5.164409\n2.604316 -2.604316 5.164409\n2.604316 2.604316 -5.164409\nAc Tb\n1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.750000 0.250000 0.500000 Tb\n0.250000 0.750000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n","nsites":4,"nelements":2,"elements":["Ac","Tb"],"chemical_system":"Ac-Tb","density":8.34095161754886,"density_atomic":0.028549073092548383,"volume":140.10962762374388,"volume_molar":21.09399748453425,"formula_full":"Ac1 Tb3","formula_reduced":"AcTb3","formula_anonymous":"AB3","energy":-17.7628931,"energy_per_atom":-4.440723275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.7628931,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0023771,"is_theoretical":true,"updated_at":"2021-11-28T01:37:55.587000Z","spacegroup":139},{"id":"mp-1183243","created_at":"2022-09-04T14:40:04.925361Z","structure_string":"Ac1 Sn1 Pd2\n1.0\n0.000000 3.598872 3.598872\n3.598872 0.000000 3.598872\n3.598872 3.598872 0.000000\nAc Sn Pd\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n","nsites":4,"nelements":3,"elements":["Ac","Sn","Pd"],"chemical_system":"Ac-Pd-Sn","density":9.949057856874237,"density_atomic":0.042907261204322485,"volume":93.22431420062391,"volume_molar":14.035248559265602,"formula_full":"Ac1 Sn1 Pd2","formula_reduced":"AcSnPd2","formula_anonymous":"ABC2","energy":-21.1666049,"energy_per_atom":-5.291651225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.1666049,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002237,"is_theoretical":true,"updated_at":"2021-11-28T01:34:45.335000Z","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},{"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-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-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-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}]}