{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nsites&page=10262","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nsites&page=10260","results":[{"id":"mp-1077334","created_at":"2022-09-04T14:40:33.295591Z","structure_string":"Er1 Mn1 Ni4\n1.0\n0.000000 3.446167 3.446167\n3.446167 0.000000 3.446167\n3.446167 3.446167 0.000000\nEr Mn Ni\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Er\n0.250000 0.250000 0.250000 Mn\n0.624159 0.624159 0.127522 Ni\n0.624159 0.127522 0.624159 Ni\n0.127522 0.624159 0.624159 Ni\n0.624159 0.624159 0.624159 Ni\n","nsites":6,"nelements":3,"elements":["Er","Mn","Ni"],"chemical_system":"Er-Mn-Ni","density":9.270399419313573,"density_atomic":0.0733014045886752,"volume":81.85382031447428,"volume_molar":8.215587127958525,"formula_full":"Er1 Mn1 Ni4","formula_reduced":"ErMnNi4","formula_anonymous":"ABC4","energy":-38.65530328,"energy_per_atom":-6.442550546666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.65530328,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.4409153,"is_theoretical":false,"updated_at":"2021-11-28T01:35:06.384000Z","spacegroup":216},{"id":"mp-2880","created_at":"2022-09-04T14:40:29.243203Z","structure_string":"Lu1 B2 Os3\n1.0\n2.759853 -4.780205 0.000000\n2.759853 4.780205 0.000000\n0.000000 0.000000 3.031391\nLu B Os\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Lu\n0.333333 0.666667 0.000000 B\n0.666667 0.333333 0.000000 B\n0.500000 0.000000 0.500000 Os\n0.500000 0.500000 0.500000 Os\n0.000000 0.500000 0.500000 Os\n","nsites":6,"nelements":3,"elements":["Lu","B","Os"],"chemical_system":"B-Lu-Os","density":15.929347425938243,"density_atomic":0.075014777503694,"volume":79.98424043455356,"volume_molar":8.027939241309419,"formula_full":"Lu1 B2 Os3","formula_reduced":"LuB2Os3","formula_anonymous":"AB2C3","energy":-53.63737556,"energy_per_atom":-8.939562593333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-53.63737556,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0031862,"is_theoretical":false,"updated_at":"2021-11-28T01:34:59.601000Z","spacegroup":191},{"id":"mp-510087","created_at":"2022-09-04T14:40:32.980773Z","structure_string":"Pd4 N2\n1.0\n2.942377 0.000000 0.000000\n0.000000 4.872615 0.000000\n0.000000 0.000000 5.462513\nPd N\n4 2\ndirect\n0.000000 0.767401 0.688390 Pd\n0.000000 0.232599 0.311610 Pd\n0.500000 0.267401 0.811610 Pd\n0.500000 0.732599 0.188390 Pd\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 N\n","nsites":6,"nelements":2,"elements":["Pd","N"],"chemical_system":"N-Pd","density":9.61963647724598,"density_atomic":0.07661227376817754,"volume":78.31643292764691,"volume_molar":7.860543048523145,"formula_full":"Pd4 N2","formula_reduced":"Pd2N","formula_anonymous":"AB2","energy":-34.26153231,"energy_per_atom":-5.710255385,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.53953231,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0015707,"is_theoretical":false,"updated_at":"2021-11-28T01:34:53.817000Z","spacegroup":58},{"id":"mp-1249","created_at":"2022-09-04T14:40:29.499593Z","structure_string":"Mg2 F4\n1.0\n4.694000 0.000000 0.000000\n0.000000 4.694000 0.000000\n0.000000 0.000000 3.094638\nMg F\n2 4\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.696651 0.696651 0.000000 F\n0.196651 0.803349 0.500000 F\n0.303349 0.303349 0.000000 F\n0.803349 0.196651 0.500000 F\n","nsites":6,"nelements":2,"elements":["Mg","F"],"chemical_system":"F-Mg","density":3.034476003515959,"density_atomic":0.08799443878884296,"volume":68.186127243768,"volume_molar":6.843774269020695,"formula_full":"Mg2 F4","formula_reduced":"MgF2","formula_anonymous":"AB2","energy":-33.82295758,"energy_per_atom":-5.637159596666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.97495758,"band_gap":6.839,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:34:58.653000Z","spacegroup":136},{"id":"mp-553946","created_at":"2022-09-04T14:40:25.267648Z","structure_string":"Co2 As2 S2\n1.0\n3.494663 0.000000 0.000000\n0.000000 4.595515 0.000000\n0.000000 0.000000 5.573013\nCo As S\n2 2 2\ndirect\n0.500000 0.736468 0.497122 Co\n0.000000 0.263532 0.997122 Co\n0.000000 0.039270 0.371798 As\n0.500000 0.960730 0.871798 As\n0.500000 0.548259 0.124930 S\n0.000000 0.451741 0.624930 S\n","nsites":6,"nelements":3,"elements":["Co","As","S"],"chemical_system":"As-Co-S","density":6.156696562416177,"density_atomic":0.06703810114089978,"volume":89.50134174279907,"volume_molar":8.983161303066662,"formula_full":"Co2 As2 S2","formula_reduced":"CoAsS","formula_anonymous":"ABC","energy":-35.50896312,"energy_per_atom":-5.91816052,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.50296312,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004276,"is_theoretical":false,"updated_at":"2021-11-28T01:34:53.984000Z","spacegroup":31},{"id":"mp-1094340","created_at":"2022-09-04T14:40:25.697050Z","structure_string":"Mg1 Ti5\n1.0\n1.456678 -7.658583 0.000000\n1.456678 7.658583 0.000000\n0.000000 0.000000 4.820528\nMg Ti\n1 5\ndirect\n0.775966 0.224034 0.500000 Mg\n0.000323 0.999677 0.000000 Ti\n0.337841 0.662159 0.000000 Ti\n0.662070 0.337930 0.000000 Ti\n0.108480 0.891520 0.500000 Ti\n0.448653 0.551347 0.500000 Ti\n","nsites":6,"nelements":2,"elements":["Mg","Ti"],"chemical_system":"Mg-Ti","density":4.0702755429616735,"density_atomic":0.05578464328668951,"volume":107.5564823308932,"volume_molar":10.79533793745153,"formula_full":"Mg1 Ti5","formula_reduced":"MgTi5","formula_anonymous":"AB5","energy":-40.51577269,"energy_per_atom":-6.752628781666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.51577269,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0283471,"is_theoretical":true,"updated_at":"2021-11-28T01:35:05.890000Z","spacegroup":38},{"id":"mp-1018672","created_at":"2022-09-04T14:40:25.594715Z","structure_string":"Co2 As4\n1.0\n3.118320 0.000000 0.000000\n0.000000 5.124130 0.000000\n0.000000 0.000000 5.906661\nCo As\n2 4\ndirect\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.688653 0.136208 As\n0.500000 0.311347 0.863792 As\n0.000000 0.188653 0.363792 As\n0.000000 0.811347 0.636208 As\n","nsites":6,"nelements":2,"elements":["Co","As"],"chemical_system":"As-Co","density":7.346451599417871,"density_atomic":0.06357236741276776,"volume":94.38062863134732,"volume_molar":9.472890510587662,"formula_full":"Co2 As4","formula_reduced":"CoAs2","formula_anonymous":"AB2","energy":-34.6957342,"energy_per_atom":-5.782622366666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.6957342,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002115,"is_theoretical":false,"updated_at":"2021-11-28T01:34:54.017000Z","spacegroup":58},{"id":"mp-1226709","created_at":"2022-09-04T14:42:58.138617Z","structure_string":"Ce1 Al1 Cu4\n1.0\n2.859987 -4.953642 0.000000\n2.859987 4.953642 0.000000\n0.000000 0.000000 4.469892\nCe Al Cu\n1 1 4\ndirect\n0.333333 0.666667 0.000000 Ce\n0.666667 0.333333 0.000000 Al\n0.000000 0.000000 0.000000 Cu\n0.331514 0.165757 0.500000 Cu\n0.834243 0.165757 0.500000 Cu\n0.834243 0.668486 0.500000 Cu\n","nsites":6,"nelements":3,"elements":["Ce","Al","Cu"],"chemical_system":"Al-Ce-Cu","density":5.523391455320003,"density_atomic":0.04737350837430668,"volume":126.65306425255467,"volume_molar":12.712043010236808,"formula_full":"Ce1 Al1 Cu4","formula_reduced":"CeAlCu4","formula_anonymous":"ABC4","energy":-25.577512469999995,"energy_per_atom":-4.2629187449999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-25.577512469999995,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.2612118,"is_theoretical":true,"updated_at":"2021-11-28T01:35:59.136000Z","spacegroup":187},{"id":"mp-1207277","created_at":"2022-09-04T14:42:55.285586Z","structure_string":"Y1 Cu2 Se1 O2\n1.0\n3.585859 0.000000 0.000000\n0.000000 3.585859 0.000000\n0.000000 0.000000 11.942138\nY Cu Se O\n1 2 1 2\ndirect\n0.500000 0.500000 0.500000 Y\n0.500000 0.500000 0.182114 Cu\n0.500000 0.500000 0.817886 Cu\n0.500000 0.500000 0.000000 Se\n0.500000 0.500000 0.671101 O\n0.500000 0.500000 0.328899 O\n","nsites":6,"nelements":4,"elements":["Y","Cu","Se","O"],"chemical_system":"Cu-O-Se-Y","density":3.535662234483713,"density_atomic":0.03907353894756726,"volume":153.5566053551329,"volume_molar":15.412324867939668,"formula_full":"Y1 Cu2 Se1 O2","formula_reduced":"YCu2SeO2","formula_anonymous":"ABC2D2","energy":-32.49858286,"energy_per_atom":-5.416430476666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.652582860000003,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0995769,"is_theoretical":true,"updated_at":"2021-11-28T01:35:55.674000Z","spacegroup":123},{"id":"mp-1207532","created_at":"2022-09-04T14:42:55.439057Z","structure_string":"Zr2 Cu1 Sn3\n1.0\n8.987911 0.000000 0.000000\n0.000000 8.987911 0.000000\n0.000000 0.000000 38.670931\nZr Cu Sn\n2 1 3\ndirect\n0.500000 0.500000 0.251613 Zr\n0.500000 0.500000 0.748387 Zr\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.675783 Sn\n0.500000 0.500000 0.324217 Sn\n0.500000 0.500000 0.000000 Sn\n","nsites":6,"nelements":3,"elements":["Zr","Cu","Sn"],"chemical_system":"Cu-Sn-Zr","density":0.3200610908596486,"density_atomic":0.0019206538270741974,"volume":3123.936190594023,"volume_molar":313.54639108358987,"formula_full":"Zr2 Cu1 Sn3","formula_reduced":"Zr2CuSn3","formula_anonymous":"AB2C3","energy":-13.02978642,"energy_per_atom":-2.17163107,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.02978642,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.9352063,"is_theoretical":true,"updated_at":"2021-11-28T01:35:58.051000Z","spacegroup":123},{"id":"mp-20237","created_at":"2022-09-04T14:42:57.679501Z","structure_string":"Co2 Ni2 Sn2\n1.0\n2.129385 -3.688204 0.000000\n2.129385 3.688204 0.000000\n0.000000 0.000000 5.293475\nCo Ni Sn\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.333333 0.666667 0.750000 Ni\n0.666667 0.333333 0.250000 Ni\n0.333333 0.666667 0.250000 Sn\n0.666667 0.333333 0.750000 Sn\n","nsites":6,"nelements":3,"elements":["Co","Ni","Sn"],"chemical_system":"Co-Ni-Sn","density":9.439958397603052,"density_atomic":0.07216244897480478,"volume":83.14573694824125,"volume_molar":8.345255524937361,"formula_full":"Co2 Ni2 Sn2","formula_reduced":"CoNiSn","formula_anonymous":"ABC","energy":-33.90373831,"energy_per_atom":-5.650623051666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.90373831,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9979027,"is_theoretical":false,"updated_at":"2021-11-28T01:36:04.971000Z","spacegroup":194},{"id":"mp-16266","created_at":"2022-09-04T14:42:50.696383Z","structure_string":"Ca2 Zn2 Si2\n1.0\n2.119958 -3.671876 0.000000\n2.119958 3.671876 0.000000\n0.000000 0.000000 8.232910\nCa Zn Si\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666667 0.250000 Zn\n0.666667 0.333333 0.750000 Zn\n0.666667 0.333333 0.250000 Si\n0.333333 0.666667 0.750000 Si\n","nsites":6,"nelements":3,"elements":["Ca","Zn","Si"],"chemical_system":"Ca-Si-Zn","density":3.4609674964291304,"density_atomic":0.04681150709124345,"volume":128.17361313116874,"volume_molar":12.864658999894708,"formula_full":"Ca2 Zn2 Si2","formula_reduced":"CaZnSi","formula_anonymous":"ABC","energy":-19.94786834,"energy_per_atom":-3.3246447233333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.08986834,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0165249,"is_theoretical":false,"updated_at":"2021-11-28T01:35:51.137000Z","spacegroup":194}]}