{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=density&page=53","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=density&page=51","results":[{"id":"mp-1093755","created_at":"2022-09-04T14:46:11.847803Z","structure_string":"Ca1 Cd2 Ag1\n1.0\n-6.076641 6.452671 9.096077\n6.076641 -6.452671 9.096077\n6.076641 6.452671 -9.096077\nCa Cd Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.273937 0.273937 Cd\n0.000000 0.726063 0.726063 Cd\n0.000000 0.500000 0.500000 Ag\n","nsites":4,"nelements":3,"elements":["Ca","Cd","Ag"],"chemical_system":"Ag-Ca-Cd","density":0.43388110010760905,"density_atomic":0.002803772487947881,"volume":1426.6492795667791,"volume_molar":214.78706941759341,"formula_full":"Ca1 Cd2 Ag1","formula_reduced":"CaCd2Ag","formula_anonymous":"ABC2","energy":-3.10897079,"energy_per_atom":-0.7772426975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.10897079,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004201,"is_theoretical":true,"updated_at":"2021-11-28T01:37:29.710000Z","spacegroup":71},{"id":"mp-1214952","created_at":"2022-09-04T14:45:16.999007Z","structure_string":"Cd2 C12 O12\n1.0\n8.485567 4.678141 0.000000\n-8.485567 4.678141 0.000000\n0.000000 2.691318 27.035486\nCd C O\n2 12 12\ndirect\n0.000000 0.500000 0.000000 Cd\n0.500000 0.000000 0.500000 Cd\n0.979667 0.560290 0.254104 C\n0.020333 0.439710 0.745896 C\n0.178598 0.443906 0.999739 C\n0.439710 0.020333 0.245896 C\n0.821402 0.556094 0.000261 C\n0.560290 0.979667 0.754104 C\n0.665687 0.439729 0.000160 C\n0.556094 0.821402 0.500261 C\n0.334313 0.560271 0.999840 C\n0.443906 0.178598 0.499739 C\n0.560271 0.334313 0.499840 C\n0.439729 0.665687 0.500160 C\n0.955534 0.177209 0.248706 O\n0.044466 0.822791 0.751294 O\n0.522016 0.346101 0.000182 O\n0.822791 0.044466 0.251294 O\n0.477984 0.653899 0.999818 O\n0.177209 0.955534 0.748706 O\n0.852215 0.533010 0.266336 O\n0.653899 0.477984 0.499818 O\n0.147785 0.466990 0.733664 O\n0.346101 0.522016 0.500182 O\n0.466990 0.147785 0.233664 O\n0.533010 0.852215 0.766336 O\n","nsites":26,"nelements":3,"elements":["Cd","C","O"],"chemical_system":"C-Cd-O","density":0.4339599337071895,"density_atomic":0.012113091477548937,"volume":2146.4380128053863,"volume_molar":49.71596863741815,"formula_full":"Cd2 C12 O12","formula_reduced":"Cd(CO)6","formula_anonymous":"AB6C6","energy":-166.2071565,"energy_per_atom":-6.392582942307692,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-164.2751565,"band_gap":0.0213999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.5210792,"is_theoretical":true,"updated_at":"2021-11-28T01:36:53.200000Z","spacegroup":15},{"id":"mp-1097181","created_at":"2022-09-04T14:45:04.957520Z","structure_string":"Zr1 Sc1 Zn2\n1.0\n-5.629388 5.664049 8.008459\n5.629388 -5.664049 8.008459\n5.629388 5.664049 -8.008459\nZr Sc Zn\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Sc\n0.000000 0.250162 0.250162 Zn\n0.000000 0.749838 0.749838 Zn\n","nsites":4,"nelements":3,"elements":["Zr","Sc","Zn"],"chemical_system":"Sc-Zn-Zr","density":0.43407005849231683,"density_atomic":0.003916181925565797,"volume":1021.403008345199,"volume_molar":153.77581722355606,"formula_full":"Zr1 Sc1 Zn2","formula_reduced":"ZrScZn2","formula_anonymous":"ABC2","energy":-7.61256136,"energy_per_atom":-1.90314034,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.61256136,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.1685739,"is_theoretical":true,"updated_at":"2021-11-28T01:36:53.111000Z","spacegroup":71},{"id":"mp-1207287","created_at":"2022-09-04T14:48:18.347980Z","structure_string":"Nd2 As3 Au1\n1.0\n8.468697 0.000000 0.000000\n0.000000 8.468697 0.000000\n0.000000 0.000000 37.876121\nNd As Au\n2 3 1\ndirect\n0.500000 0.500000 0.243207 Nd\n0.500000 0.500000 0.756793 Nd\n0.500000 0.500000 0.691194 As\n0.500000 0.500000 0.308806 As\n0.500000 0.500000 0.000000 As\n0.500000 0.500000 0.500000 Au\n","nsites":6,"nelements":3,"elements":["Nd","As","Au"],"chemical_system":"As-Au-Nd","density":0.43415067355570836,"density_atomic":0.0022087805324061973,"volume":2716.4310405541883,"volume_molar":272.64550151750984,"formula_full":"Nd2 As3 Au1","formula_reduced":"Nd2As3Au","formula_anonymous":"AB2C3","energy":-13.2072477,"energy_per_atom":-2.20120795,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.2072477,"band_gap":0.1190999999999999,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":3.9446314,"is_theoretical":true,"updated_at":"2021-11-28T01:38:56.406000Z","spacegroup":123},{"id":"mp-1096166","created_at":"2022-09-04T14:47:22.501810Z","structure_string":"Be1 Al1 Co2\n1.0\n-4.564963 4.767122 6.744159\n4.564963 -4.767122 6.744159\n4.564963 4.767122 -6.744159\nBe Al Co\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Al\n0.000000 0.239337 0.239337 Co\n0.000000 0.760663 0.760663 Co\n","nsites":4,"nelements":3,"elements":["Be","Al","Co"],"chemical_system":"Al-Be-Co","density":0.43520494104634705,"density_atomic":0.006813631954673297,"volume":587.0584185658138,"volume_molar":88.3837107736582,"formula_full":"Be1 Al1 Co2","formula_reduced":"BeAlCo2","formula_anonymous":"ABC2","energy":-11.53781281,"energy_per_atom":-2.8844532025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.53781281,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.9994952,"is_theoretical":true,"updated_at":"2021-11-28T01:38:07.653000Z","spacegroup":71},{"id":"mp-1097166","created_at":"2022-09-04T14:46:35.317995Z","structure_string":"Li1 Zn1 Ga2\n1.0\n-5.198101 5.240095 7.403939\n5.198101 -5.240095 7.403939\n5.198101 5.240095 -7.403939\nLi Zn Ga\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Zn\n0.000000 0.256056 0.256056 Ga\n0.000000 0.743944 0.743944 Ga\n","nsites":4,"nelements":3,"elements":["Li","Zn","Ga"],"chemical_system":"Ga-Li-Zn","density":0.4359735617271522,"density_atomic":0.004958533980371251,"volume":806.6900450484591,"volume_molar":121.45002502431406,"formula_full":"Li1 Zn1 Ga2","formula_reduced":"LiZnGa2","formula_anonymous":"ABC2","energy":-4.74400916,"energy_per_atom":-1.18600229,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.74400916,"band_gap":0.1815000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.9999807,"is_theoretical":true,"updated_at":"2021-11-28T01:37:42.328000Z","spacegroup":71},{"id":"mp-1097515","created_at":"2022-09-04T14:40:27.516221Z","structure_string":"K2 Ag1 Au1\n1.0\n-6.254620 6.411538 9.082052\n6.254620 -6.411538 9.082052\n6.254620 6.411538 -9.082052\nK Ag Au\n2 1 1\ndirect\n0.000000 0.255195 0.255195 K\n0.000000 0.744805 0.744805 K\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Au\n","nsites":4,"nelements":3,"elements":["K","Ag","Au"],"chemical_system":"Ag-Au-K","density":0.4365925441758551,"density_atomic":0.002745698623657239,"volume":1456.824126849015,"volume_molar":219.3299988612216,"formula_full":"K2 Ag1 Au1","formula_reduced":"K2AgAu","formula_anonymous":"ABC2","energy":-6.95363724,"energy_per_atom":-1.73840931,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.95363724,"band_gap":1.9995000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:57.874000Z","spacegroup":71},{"id":"mp-1093632","created_at":"2022-09-04T14:41:12.352633Z","structure_string":"Na1 Y2 Pb1\n1.0\n-6.460120 6.518430 9.209344\n6.460120 -6.518430 9.209344\n6.460120 6.518430 -9.209344\nNa Y Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.281179 0.281179 Y\n0.000000 0.718821 0.718821 Y\n0.000000 0.500000 0.500000 Pb\n","nsites":4,"nelements":3,"elements":["Na","Y","Pb"],"chemical_system":"Na-Pb-Y","density":0.43675566438607505,"density_atomic":0.0025786221742884656,"volume":1551.2160098071536,"volume_molar":233.5410290056055,"formula_full":"Na1 Y2 Pb1","formula_reduced":"NaY2Pb","formula_anonymous":"ABC2","energy":-10.60559765,"energy_per_atom":-2.6513994125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.60559765,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.9993452,"is_theoretical":true,"updated_at":"2021-11-28T01:35:18.214000Z","spacegroup":71},{"id":"mp-1096352","created_at":"2022-09-04T14:46:03.994167Z","structure_string":"Sr2 Cd1 Hg1\n1.0\n-6.716222 7.276144 9.496108\n6.716222 -7.276144 9.496108\n6.716222 7.276144 -9.496108\nSr Cd Hg\n2 1 1\ndirect\n0.251368 0.000000 0.251368 Sr\n0.748632 0.000000 0.748632 Sr\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 Hg\n","nsites":4,"nelements":3,"elements":["Sr","Cd","Hg"],"chemical_system":"Cd-Hg-Sr","density":0.4367685700253632,"density_atomic":0.0021549044911391077,"volume":1856.2307593899686,"volume_molar":279.4620729022021,"formula_full":"Sr2 Cd1 Hg1","formula_reduced":"Sr2CdHg","formula_anonymous":"ABC2","energy":-1.223107,"energy_per_atom":-0.30577675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.223107,"band_gap":0.5243000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.98e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:21.940000Z","spacegroup":71},{"id":"mp-1096037","created_at":"2022-09-04T14:43:09.257306Z","structure_string":"Ba1 Sr1 In2\n1.0\n-6.694373 6.768286 9.510016\n6.694373 -6.768286 9.510016\n6.694373 6.768286 -9.510016\nBa Sr In\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.000000 0.249711 0.249711 In\n0.000000 0.750289 0.750289 In\n","nsites":4,"nelements":3,"elements":["Ba","Sr","In"],"chemical_system":"Ba-In-Sr","density":0.43795797608788983,"density_atomic":0.002320759535554503,"volume":1723.5736571235386,"volume_molar":259.49007933564815,"formula_full":"Ba1 Sr1 In2","formula_reduced":"BaSrIn2","formula_anonymous":"ABC2","energy":-4.39036586,"energy_per_atom":-1.097591465,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.39036586,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.1216715,"is_theoretical":true,"updated_at":"2021-11-28T01:36:03.071000Z","spacegroup":71},{"id":"mp-1095902","created_at":"2022-09-04T14:40:27.099596Z","structure_string":"Y2 Zn1 Ga1\n1.0\n-5.878138 6.002002 8.393690\n5.878138 -6.002002 8.393690\n5.878138 6.002002 -8.393690\nY Zn Ga\n2 1 1\ndirect\n0.000000 0.258700 0.258700 Y\n0.000000 0.741300 0.741300 Y\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ga\n","nsites":4,"nelements":3,"elements":["Y","Zn","Ga"],"chemical_system":"Ga-Y-Zn","density":0.4386988339333307,"density_atomic":0.003376845266554167,"volume":1184.5375444406188,"volume_molar":178.33629570315406,"formula_full":"Y2 Zn1 Ga1","formula_reduced":"Y2ZnGa","formula_anonymous":"ABC2","energy":-8.94497555,"energy_per_atom":-2.2362438875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.94497555,"band_gap":0.1271,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.0001647,"is_theoretical":true,"updated_at":"2021-11-28T01:35:01.302000Z","spacegroup":71},{"id":"mp-1096010","created_at":"2022-09-04T14:46:41.251232Z","structure_string":"Cs2 I1 Br1\n1.0\n-6.743196 6.946807 9.545157\n6.743196 -6.946807 9.545157\n6.743196 6.946807 -9.545157\nCs I Br\n2 1 1\ndirect\n0.758990 0.000000 0.758990 Cs\n0.241010 0.000000 0.241010 Cs\n0.500000 0.000000 0.500000 I\n0.000000 0.000000 0.000000 Br\n","nsites":4,"nelements":3,"elements":["Cs","I","Br"],"chemical_system":"Br-Cs-I","density":0.4387999142202584,"density_atomic":0.002236484576226247,"volume":1788.521165099845,"volume_molar":269.2681552117616,"formula_full":"Cs2 I1 Br1","formula_reduced":"Cs2IBr","formula_anonymous":"ABC2","energy":-10.9574046,"energy_per_atom":-2.73935115,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.0444046,"band_gap":3.714,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:48.284000Z","spacegroup":71}]}