{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-spacegroup&page=88","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-spacegroup&page=86","results":[{"id":"mp-756347","created_at":"2022-09-04T14:44:57.033231Z","structure_string":"Y4 Pt4 O14\n1.0\n0.000000 5.150637 5.150637\n5.150637 0.000000 5.150637\n5.150637 5.150637 0.000000\nY Pt O\n4 4 14\ndirect\n0.125000 0.625000 0.125000 Y\n0.125000 0.125000 0.625000 Y\n0.625000 0.125000 0.125000 Y\n0.125000 0.125000 0.125000 Y\n0.625000 0.625000 0.625000 Pt\n0.125000 0.625000 0.625000 Pt\n0.625000 0.625000 0.125000 Pt\n0.625000 0.125000 0.625000 Pt\n0.284123 0.715877 0.715877 O\n0.534123 0.965877 0.965877 O\n0.715877 0.715877 0.284123 O\n0.284123 0.284123 0.715877 O\n0.000000 0.000000 0.000000 O\n0.284123 0.715877 0.284123 O\n0.715877 0.284123 0.715877 O\n0.965877 0.534123 0.965877 O\n0.534123 0.534123 0.965877 O\n0.965877 0.965877 0.534123 O\n0.250000 0.250000 0.250000 O\n0.534123 0.965877 0.534123 O\n0.715877 0.284123 0.284123 O\n0.965877 0.534123 0.534123 O\n","nsites":22,"nelements":3,"elements":["Y","Pt","O"],"chemical_system":"O-Pt-Y","density":8.263414399152575,"density_atomic":0.080502590396,"volume":273.283131533779,"volume_molar":7.480679479227326,"formula_full":"Y4 Pt4 O14","formula_reduced":"Y2Pt2O7","formula_anonymous":"A2B2C7","energy":-173.11286889,"energy_per_atom":-7.868766767727272,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-163.49486889,"band_gap":1.2205,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.5e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:36:47.732000Z","spacegroup":227},{"id":"mp-1390164","created_at":"2022-09-04T14:44:57.336144Z","structure_string":"V4 Zn2 S8\n1.0\n0.000000 5.037703 5.037703\n5.037703 0.000000 5.037703\n5.037703 5.037703 0.000000\nV Zn S\n4 2 8\ndirect\n0.125000 0.125000 0.625000 V\n0.625000 0.125000 0.125000 V\n0.125000 0.125000 0.125000 V\n0.125000 0.625000 0.125000 V\n0.750000 0.750000 0.750000 Zn\n0.500000 0.500000 0.500000 Zn\n0.900329 0.366557 0.366557 S\n0.366557 0.366557 0.900329 S\n0.366557 0.366557 0.366557 S\n0.349671 0.883443 0.883443 S\n0.883443 0.349671 0.883443 S\n0.883443 0.883443 0.349671 S\n0.366557 0.900329 0.366557 S\n0.883443 0.883443 0.883443 S\n","nsites":14,"nelements":3,"elements":["V","Zn","S"],"chemical_system":"S-V-Zn","density":3.8387101440167903,"density_atomic":0.05475204695778904,"volume":255.6982026771212,"volume_molar":10.998932632861662,"formula_full":"V4 Zn2 S8","formula_reduced":"V2ZnS4","formula_anonymous":"AB2C4","energy":-87.68871584,"energy_per_atom":-6.2634797028571425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-83.66471584,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9895521,"is_theoretical":true,"updated_at":"2021-11-28T01:36:51.617000Z","spacegroup":227},{"id":"mp-1213370","created_at":"2022-09-04T14:44:58.585479Z","structure_string":"Ga8 Ru4\n1.0\n-4.617979 -4.662133 0.000000\n-4.617979 4.662133 0.000000\n4.617979 0.000000 -4.663747\nGa Ru\n8 4\ndirect\n0.395232 0.180061 0.785200 Ga\n0.389968 0.605139 0.785200 Ga\n0.819939 0.604768 0.214800 Ga\n0.854768 0.569939 0.714800 Ga\n0.394861 0.610032 0.214800 Ga\n0.860032 0.144861 0.714800 Ga\n0.430061 0.145232 0.285200 Ga\n0.855139 0.139968 0.285200 Ga\n0.625000 0.875000 0.750000 Ru\n0.125000 0.875000 0.750000 Ru\n0.125000 0.375000 0.250000 Ru\n0.125000 0.875000 0.250000 Ru\n","nsites":12,"nelements":2,"elements":["Ga","Ru"],"chemical_system":"Ga-Ru","density":7.955206738894112,"density_atomic":0.05975574361756807,"volume":200.81751599978455,"volume_molar":10.077927903535455,"formula_full":"Ga8 Ru4","formula_reduced":"Ga2Ru","formula_anonymous":"AB2","energy":-61.41632432,"energy_per_atom":-5.118027026666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-61.41632432,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0014232,"is_theoretical":true,"updated_at":"2021-11-28T01:36:50.814000Z","spacegroup":227},{"id":"mp-22803","created_at":"2022-09-04T14:44:57.813235Z","structure_string":"Cr4 Cu2 S8\n1.0\n0.000000 4.921568 4.921568\n4.921568 0.000000 4.921568\n4.921568 4.921568 0.000000\nCr Cu S\n4 2 8\ndirect\n0.125000 0.125000 0.125000 Cr\n0.625000 0.125000 0.125000 Cr\n0.125000 0.125000 0.625000 Cr\n0.125000 0.625000 0.125000 Cr\n0.500000 0.500000 0.500000 Cu\n0.750000 0.750000 0.750000 Cu\n0.367122 0.367122 0.367122 S\n0.351367 0.882878 0.882878 S\n0.882878 0.882878 0.351367 S\n0.882878 0.351367 0.882878 S\n0.367122 0.367122 0.898633 S\n0.367122 0.898633 0.367122 S\n0.882878 0.882878 0.882878 S\n0.898633 0.367122 0.367122 S\n","nsites":14,"nelements":3,"elements":["Cr","Cu","S"],"chemical_system":"Cr-Cu-S","density":4.120350435403697,"density_atomic":0.05872020593016562,"volume":238.4187823974907,"volume_molar":10.255653338753566,"formula_full":"Cr4 Cu2 S8","formula_reduced":"Cr2CuS4","formula_anonymous":"AB2C4","energy":-92.80500438,"energy_per_atom":-6.628928884285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-88.78100438,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.005256,"is_theoretical":false,"updated_at":"2021-11-28T01:36:54.624000Z","spacegroup":227},{"id":"mp-1210118","created_at":"2022-09-04T14:44:58.679019Z","structure_string":"Nb2 Tl2 O28\n1.0\n0.000000 5.447127 5.447127\n5.447127 0.000000 5.447127\n5.447127 5.447127 0.000000\nNb Tl O\n2 2 28\ndirect\n0.500000 0.500000 0.500000 Nb\n0.750000 0.750000 0.750000 Nb\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Tl\n0.808338 0.475882 0.475882 O\n0.475882 0.808338 0.239898 O\n0.475882 0.239898 0.808338 O\n0.475882 0.808338 0.475882 O\n0.441662 0.774118 0.010102 O\n0.441662 0.774118 0.774118 O\n0.239898 0.475882 0.475882 O\n0.239898 0.475882 0.808338 O\n0.774118 0.441662 0.774118 O\n0.774118 0.441662 0.010102 O\n0.808338 0.475882 0.239898 O\n0.774118 0.010102 0.774118 O\n0.774118 0.010102 0.441662 O\n0.475882 0.239898 0.475882 O\n0.010102 0.774118 0.441662 O\n0.010102 0.774118 0.774118 O\n0.475882 0.475882 0.808338 O\n0.239898 0.808338 0.475882 O\n0.475882 0.475882 0.239898 O\n0.808338 0.239898 0.475882 O\n0.010102 0.441662 0.774118 O\n0.774118 0.774118 0.441662 O\n0.441662 0.010102 0.774118 O\n0.774118 0.774118 0.010102 O\n0.125000 0.125000 0.125000 O\n0.125000 0.125000 0.625000 O\n0.125000 0.625000 0.125000 O\n0.625000 0.125000 0.125000 O\n","nsites":32,"nelements":3,"elements":["Nb","Tl","O"],"chemical_system":"Nb-O-Tl","density":5.35573060262585,"density_atomic":0.09899596186626439,"volume":323.24550816759006,"volume_molar":6.08321859444674,"formula_full":"Nb2 Tl2 O28","formula_reduced":"NbTlO14","formula_anonymous":"ABC14","energy":-161.35469482,"energy_per_atom":-5.042334213125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-142.11869482,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003394,"is_theoretical":true,"updated_at":"2021-11-28T01:36:49.028000Z","spacegroup":227},{"id":"mp-1176776","created_at":"2022-09-04T14:44:58.759026Z","structure_string":"Li4 Co4 S8\n1.0\n0.000000 4.851769 4.851769\n4.851769 0.000000 4.851769\n4.851769 4.851769 0.000000\nLi Co S\n4 4 8\ndirect\n0.125000 0.125000 0.125000 Li\n0.625000 0.125000 0.125000 Li\n0.125000 0.625000 0.125000 Li\n0.125000 0.125000 0.625000 Li\n0.625000 0.625000 0.125000 Co\n0.625000 0.625000 0.625000 Co\n0.625000 0.125000 0.625000 Co\n0.125000 0.625000 0.625000 Co\n0.859945 0.420164 0.859945 S\n0.859945 0.859945 0.420164 S\n0.859945 0.859945 0.859945 S\n0.420164 0.859945 0.859945 S\n0.390055 0.390055 0.390055 S\n0.829836 0.390055 0.390055 S\n0.390055 0.829836 0.390055 S\n0.390055 0.390055 0.829836 S\n","nsites":16,"nelements":3,"elements":["Li","Co","S"],"chemical_system":"Co-Li-S","density":3.7803857177109768,"density_atomic":0.07004701633517774,"volume":228.41800889047678,"volume_molar":8.597283760358641,"formula_full":"Li4 Co4 S8","formula_reduced":"LiCoS2","formula_anonymous":"ABC2","energy":-84.50084556,"energy_per_atom":-5.2813028475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.47684556,"band_gap":0.8184000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.2e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:36:47.548000Z","spacegroup":227},{"id":"mp-1215144","created_at":"2022-09-04T14:44:59.237077Z","structure_string":"As8 O24\n1.0\n-19.203354 -19.203354 -0.000000\n-19.203354 -0.000000 -19.203354\n0.000000 -19.203354 -19.203354\nAs O\n8 24\ndirect\n0.772589 0.772589 0.772589 As\n0.682233 0.772589 0.772589 As\n0.772589 0.682233 0.772589 As\n0.067767 0.977411 0.977411 As\n0.977411 0.977411 0.977411 As\n0.772589 0.772589 0.682233 As\n0.977411 0.067767 0.977411 As\n0.977411 0.977411 0.067767 As\n0.702384 0.702384 0.047586 O\n0.547646 0.047586 0.702384 O\n0.047586 0.547646 0.702384 O\n0.702384 0.047586 0.702384 O\n0.202354 0.047616 0.702414 O\n0.047616 0.047616 0.702414 O\n0.702384 0.702384 0.547646 O\n0.047586 0.702384 0.547646 O\n0.047616 0.702414 0.047616 O\n0.202354 0.702414 0.047616 O\n0.547646 0.702384 0.047586 O\n0.047616 0.202354 0.047616 O\n0.702414 0.202354 0.047616 O\n0.702384 0.547646 0.702384 O\n0.702414 0.047616 0.202354 O\n0.047616 0.047616 0.202354 O\n0.047586 0.702384 0.702384 O\n0.702384 0.047586 0.547646 O\n0.547646 0.702384 0.702384 O\n0.702384 0.547646 0.047586 O\n0.047616 0.702414 0.202354 O\n0.702414 0.047616 0.047616 O\n0.047616 0.202354 0.702414 O\n0.202354 0.047616 0.047616 O\n","nsites":32,"nelements":2,"elements":["As","O"],"chemical_system":"As-O","density":0.11529213193685449,"density_atomic":0.002259377080939495,"volume":14163.195807356666,"volume_molar":266.539871135449,"formula_full":"As8 O24","formula_reduced":"AsO3","formula_anonymous":"AB3","energy":-98.34876298,"energy_per_atom":-3.073398843125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-81.86076298,"band_gap":0.1016000000000003,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":47.1151489,"is_theoretical":true,"updated_at":"2021-11-28T01:36:47.599000Z","spacegroup":227},{"id":"mp-558","created_at":"2022-09-04T14:44:59.347103Z","structure_string":"Y2 Mn4\n1.0\n0.000000 3.620678 3.620678\n3.620678 0.000000 3.620678\n3.620678 3.620678 0.000000\nY Mn\n2 4\ndirect\n0.250000 0.250000 0.250000 Y\n0.000000 0.000000 0.000000 Y\n0.625000 0.625000 0.625000 Mn\n0.125000 0.625000 0.625000 Mn\n0.625000 0.125000 0.625000 Mn\n0.625000 0.625000 0.125000 Mn\n","nsites":6,"nelements":2,"elements":["Y","Mn"],"chemical_system":"Mn-Y","density":6.954346294545766,"density_atomic":0.063205015949656,"volume":94.9291746841598,"volume_molar":9.527947536310649,"formula_full":"Y2 Mn4","formula_reduced":"YMn2","formula_anonymous":"AB2","energy":-48.6146392,"energy_per_atom":-8.102439866666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-48.6146392,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.4100686,"is_theoretical":false,"updated_at":"2021-11-28T01:36:50.135000Z","spacegroup":227},{"id":"mp-25386","created_at":"2022-09-04T14:45:00.258233Z","structure_string":"Li2 Fe4 O8\n1.0\n5.174758 0.000000 2.987648\n1.724919 4.878809 2.987648\n0.000000 0.000000 5.975295\nLi Fe O\n2 4 8\ndirect\n0.125000 0.125000 0.125001 Li\n0.874999 0.874999 0.875002 Li\n0.499998 0.500001 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000002 0.500001 0.500000 Fe\n0.499998 0.500001 0.000001 Fe\n0.261820 0.261819 0.714541 O\n0.738181 0.738180 0.738180 O\n0.738181 0.738180 0.285460 O\n0.261820 0.714541 0.261819 O\n0.261820 0.261819 0.261820 O\n0.285460 0.738180 0.738182 O\n0.738181 0.285458 0.738181 O\n0.714542 0.261819 0.261820 O\n","nsites":14,"nelements":3,"elements":["Li","Fe","O"],"chemical_system":"Fe-Li-O","density":4.020542625832713,"density_atomic":0.09280359999966213,"volume":150.8562167852429,"volume_molar":6.489124085727196,"formula_full":"Li2 Fe4 O8","formula_reduced":"Li(FeO2)2","formula_anonymous":"AB2C4","energy":-100.9674869,"energy_per_atom":-7.2119633499999996,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-86.4474869,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":17.9959209,"is_theoretical":true,"updated_at":"2021-11-28T01:36:52.318000Z","spacegroup":227},{"id":"mp-825919","created_at":"2022-09-04T14:45:00.099195Z","structure_string":"W4 O14\n1.0\n0.000000 5.099836 5.099836\n5.099836 0.000000 5.099836\n5.099836 5.099836 0.000000\nW O\n4 14\ndirect\n0.125000 0.625000 0.625000 W\n0.625000 0.125000 0.625000 W\n0.625000 0.625000 0.125000 W\n0.625000 0.625000 0.625000 W\n0.712999 0.712999 0.287001 O\n0.287001 0.287001 0.712999 O\n0.712999 0.287001 0.712999 O\n0.287001 0.712999 0.287001 O\n0.287001 0.712999 0.712999 O\n0.712999 0.287001 0.287001 O\n0.537001 0.537001 0.962999 O\n0.962999 0.962999 0.537001 O\n0.537001 0.962999 0.537001 O\n0.962999 0.537001 0.962999 O\n0.962999 0.537001 0.537001 O\n0.537001 0.962999 0.962999 O\n0.500000 0.500000 0.500000 O\n0.750000 0.750000 0.750000 O\n","nsites":18,"nelements":2,"elements":["W","O"],"chemical_system":"O-W","density":6.0052110495723525,"density_atomic":0.06785375376843415,"volume":265.2764069830087,"volume_molar":8.875177017548474,"formula_full":"W4 O14","formula_reduced":"W2O7","formula_anonymous":"A2B7","energy":-145.72646941,"energy_per_atom":-8.095914967222221,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-118.35646941,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9883153,"is_theoretical":false,"updated_at":"2021-11-28T01:36:46.407000Z","spacegroup":227},{"id":"mp-1208139","created_at":"2022-09-04T14:45:00.047880Z","structure_string":"Tm8 Co2\n1.0\n0.000000 5.234806 5.234806\n5.234806 0.000000 5.234806\n5.234806 5.234806 0.000000\nTm Co\n8 2\ndirect\n0.385675 0.385675 0.385675 Tm\n0.385675 0.385675 0.842976 Tm\n0.385675 0.842976 0.385675 Tm\n0.864325 0.864325 0.407024 Tm\n0.864325 0.864325 0.864325 Tm\n0.842976 0.385675 0.385675 Tm\n0.864325 0.407024 0.864325 Tm\n0.407024 0.864325 0.864325 Tm\n0.000000 0.000000 0.000000 Co\n0.250000 0.250000 0.250000 Co\n","nsites":10,"nelements":2,"elements":["Tm","Co"],"chemical_system":"Co-Tm","density":8.504321098782146,"density_atomic":0.034855252224083484,"volume":286.9008072502321,"volume_molar":17.277570454185266,"formula_full":"Tm8 Co2","formula_reduced":"Tm4Co","formula_anonymous":"AB4","energy":-47.0110104,"energy_per_atom":-4.70110104,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-47.0110104,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.3980941,"is_theoretical":true,"updated_at":"2021-11-28T01:36:46.046000Z","spacegroup":227},{"id":"mp-1409503","created_at":"2022-09-04T14:45:01.612752Z","structure_string":"Mg2 Mn4 O8\n1.0\n0.000000 4.301153 4.301153\n4.301153 0.000000 4.301153\n4.301153 4.301153 0.000000\nMg Mn O\n2 4 8\ndirect\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.750000 Mg\n0.125000 0.125000 0.625000 Mn\n0.125000 0.625000 0.125000 Mn\n0.625000 0.125000 0.125000 Mn\n0.125000 0.125000 0.125000 Mn\n0.885517 0.343450 0.885517 O\n0.364483 0.364483 0.906550 O\n0.364483 0.364483 0.364483 O\n0.906550 0.364483 0.364483 O\n0.885517 0.885517 0.885517 O\n0.343450 0.885517 0.885517 O\n0.364483 0.906550 0.364483 O\n0.885517 0.885517 0.343450 O\n","nsites":14,"nelements":3,"elements":["Mg","Mn","O"],"chemical_system":"Mg-Mn-O","density":4.135722363543122,"density_atomic":0.08797177717897149,"volume":159.14194812181785,"volume_molar":6.845537231501463,"formula_full":"Mg2 Mn4 O8","formula_reduced":"MgMn2O4","formula_anonymous":"AB2C4","energy":-108.81440909,"energy_per_atom":-7.772457792142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-96.64640909,"band_gap":0.0829999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:52.674000Z","spacegroup":227}]}