{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_uncorrected&page=101","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_uncorrected&page=99","results":[{"id":"mp-2522","created_at":"2022-09-04T14:48:07.140169Z","structure_string":"Lu1 Hg1\n1.0\n3.655831 0.000000 0.000000\n0.000000 3.655831 0.000000\n0.000000 0.000000 3.655831\nLu Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Lu\n0.000000 0.000000 0.000000 Hg\n","nsites":2,"nelements":2,"elements":["Lu","Hg"],"chemical_system":"Hg-Lu","density":12.76340720277349,"density_atomic":0.040932819667247336,"volume":48.86054799690022,"volume_molar":14.71225488240346,"formula_full":"Lu1 Hg1","formula_reduced":"LuHg","formula_anonymous":"AB","energy":-5.76823268,"energy_per_atom":-2.88411634,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.76823268,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0043049,"is_theoretical":false,"updated_at":"2021-11-28T01:38:29.881000Z","spacegroup":221},{"id":"mp-1097079","created_at":"2022-09-04T14:47:00.583925Z","structure_string":"Sc1 Cu1 Hg2\n1.0\n-5.553335 5.557833 8.830438\n5.553335 -5.557833 8.830438\n5.553335 5.557833 -8.830438\nSc Cu Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.000000 0.500000 Cu\n0.732751 0.000000 0.732751 Hg\n0.267249 0.000000 0.267249 Hg\n","nsites":4,"nelements":3,"elements":["Sc","Cu","Hg"],"chemical_system":"Cu-Hg-Sc","density":0.7763306201297278,"density_atomic":0.0036690902009761336,"volume":1090.1885156532348,"volume_molar":164.1317174049811,"formula_full":"Sc1 Cu1 Hg2","formula_reduced":"ScCuHg2","formula_anonymous":"ABC2","energy":-5.76949562,"energy_per_atom":-1.442373905,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.76949562,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.8136917,"is_theoretical":true,"updated_at":"2021-11-28T01:37:52.466000Z","spacegroup":71},{"id":"mp-1094669","created_at":"2022-09-04T14:40:08.532708Z","structure_string":"Mg1 Sn1\n1.0\n3.661191 0.000000 0.000000\n0.000000 3.661191 0.000000\n0.000000 0.000000 3.661191\nMg Sn\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Sn\n","nsites":2,"nelements":2,"elements":["Mg","Sn"],"chemical_system":"Mg-Sn","density":4.839088107742555,"density_atomic":0.040753305240622935,"volume":49.0757740554108,"volume_molar":14.777060963381992,"formula_full":"Mg1 Sn1","formula_reduced":"MgSn","formula_anonymous":"AB","energy":-5.77871328,"energy_per_atom":-2.88935664,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.77871328,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0035447,"is_theoretical":true,"updated_at":"2021-11-28T01:34:47.110000Z","spacegroup":221},{"id":"mp-23","created_at":"2022-09-04T14:39:05.691463Z","structure_string":"Ni1\n1.0\n0.000000 1.752899 1.752899\n1.752899 0.000000 1.752899\n1.752899 1.752899 0.000000\nNi\n1\ndirect\n0.000000 0.000000 0.000000 Ni\n","nsites":1,"nelements":1,"elements":["Ni"],"chemical_system":"Ni","density":9.047689544033622,"density_atomic":0.09283234572503903,"volume":10.772107417838058,"volume_molar":6.487114715206092,"formula_full":"Ni1","formula_reduced":"Ni","formula_anonymous":"A","energy":-5.78013668,"energy_per_atom":-5.78013668,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.78013668,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.6058573,"is_theoretical":false,"updated_at":"2021-11-28T01:34:29.412000Z","spacegroup":225},{"id":"mp-974738","created_at":"2022-09-04T14:43:42.128101Z","structure_string":"K1 Sr3\n1.0\n-3.030093 3.030093 6.345670\n3.030093 -3.030093 6.345670\n3.030093 3.030093 -6.345670\nK Sr\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n","nsites":4,"nelements":2,"elements":["K","Sr"],"chemical_system":"K-Sr","density":2.1515263941934957,"density_atomic":0.017163687567675497,"volume":233.0501522023292,"volume_molar":35.08652051754627,"formula_full":"K1 Sr3","formula_reduced":"KSr3","formula_anonymous":"AB3","energy":-5.78183773,"energy_per_atom":-1.4454594325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.78183773,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0339747,"is_theoretical":true,"updated_at":"2021-11-28T01:36:14.618000Z","spacegroup":139},{"id":"mp-1184840","created_at":"2022-09-04T14:39:15.099003Z","structure_string":"K3 Al1\n1.0\n5.771874 0.000000 0.000000\n0.000000 5.771874 0.000000\n0.000000 0.000000 5.771874\nK Al\n3 1\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Al\n","nsites":4,"nelements":2,"elements":["K","Al"],"chemical_system":"Al-K","density":1.2459309816489859,"density_atomic":0.02080220949209958,"volume":192.28726648095486,"volume_molar":28.949524627598503,"formula_full":"K3 Al1","formula_reduced":"K3Al","formula_anonymous":"AB3","energy":-5.78302076,"energy_per_atom":-1.44575519,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.78302076,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0030681,"is_theoretical":true,"updated_at":"2021-11-28T01:34:40.016000Z","spacegroup":221},{"id":"mp-1096114","created_at":"2022-09-04T14:42:39.097587Z","structure_string":"Cd1 In1 Ag2\n1.0\n-5.466149 5.793878 8.193090\n5.466149 -5.793878 8.193090\n5.466149 5.793878 -8.193090\nCd In Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 In\n0.000000 0.250491 0.250491 Ag\n0.000000 0.749509 0.749509 Ag\n","nsites":4,"nelements":3,"elements":["Cd","In","Ag"],"chemical_system":"Ag-Cd-In","density":0.7086966395426106,"density_atomic":0.0038539090601112133,"volume":1037.9072099549155,"volume_molar":156.26058285418438,"formula_full":"Cd1 In1 Ag2","formula_reduced":"CdInAg2","formula_anonymous":"ABC2","energy":-5.78396158,"energy_per_atom":-1.445990395,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.78396158,"band_gap":0.0203999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.54e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:51.485000Z","spacegroup":71},{"id":"mp-1097672","created_at":"2022-09-04T14:46:17.481860Z","structure_string":"Cs2 Hg1 Te1\n1.0\n-6.813197 7.486997 9.517215\n6.813197 -7.486997 9.517215\n6.813197 7.486997 -9.517215\nCs Hg Te\n2 1 1\ndirect\n0.220527 0.000000 0.220527 Cs\n0.779473 0.000000 0.779473 Cs\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Te\n","nsites":4,"nelements":3,"elements":["Cs","Hg","Te"],"chemical_system":"Cs-Hg-Te","density":0.5079345161821781,"density_atomic":0.0020598306398527393,"volume":1941.9072241230313,"volume_molar":292.3609661632441,"formula_full":"Cs2 Hg1 Te1","formula_reduced":"Cs2HgTe","formula_anonymous":"ABC2","energy":-6.20736386,"energy_per_atom":-1.551840965,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.78536386,"band_gap":0.9072999999999998,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0002087,"is_theoretical":true,"updated_at":"2021-11-28T01:37:30.118000Z","spacegroup":71},{"id":"mp-1094956","created_at":"2022-09-04T14:42:04.649476Z","structure_string":"Mg2 Zn2\n1.0\n3.028202 0.000000 0.000000\n0.000000 4.934615 0.000000\n0.000000 0.000000 4.982497\nMg Zn\n2 2\ndirect\n0.000000 0.000000 0.100835 Mg\n0.500000 0.500000 0.899165 Mg\n0.500000 0.000000 0.594896 Zn\n0.000000 0.500000 0.405104 Zn\n","nsites":4,"nelements":2,"elements":["Mg","Zn"],"chemical_system":"Mg-Zn","density":4.001788679790842,"density_atomic":0.053724802661353266,"volume":74.45350753940293,"volume_molar":11.209237561950143,"formula_full":"Mg2 Zn2","formula_reduced":"MgZn","formula_anonymous":"AB","energy":-5.78816226,"energy_per_atom":-1.447040565,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.78816226,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0243355,"is_theoretical":true,"updated_at":"2021-11-28T01:35:40.661000Z","spacegroup":59},{"id":"mp-973554","created_at":"2022-09-04T14:46:11.047649Z","structure_string":"K3 Sm1\n1.0\n-2.953159 2.953159 6.593057\n2.953159 -2.953159 6.593057\n2.953159 2.953159 -6.593057\nK Sm\n3 1\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Sm\n","nsites":4,"nelements":2,"elements":["K","Sm"],"chemical_system":"K-Sm","density":1.932430189277391,"density_atomic":0.017391598827779374,"volume":229.9961055685606,"volume_molar":34.626723049642294,"formula_full":"K3 Sm1","formula_reduced":"K3Sm","formula_anonymous":"AB3","energy":-5.78912845,"energy_per_atom":-1.4472821125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.78912845,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.1679742,"is_theoretical":true,"updated_at":"2021-11-28T01:37:14.483000Z","spacegroup":139},{"id":"mp-1096416","created_at":"2022-09-04T14:40:05.903758Z","structure_string":"Li2 Mg1 Au1\n1.0\n-5.408449 5.498078 7.638034\n5.408449 -5.498078 7.638034\n5.408449 5.498078 -7.638034\nLi Mg Au\n2 1 1\ndirect\n0.724392 0.000000 0.724392 Li\n0.275608 0.000000 0.275608 Li\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Au\n","nsites":4,"nelements":3,"elements":["Li","Mg","Au"],"chemical_system":"Au-Li-Mg","density":0.4298089531545937,"density_atomic":0.004402858995858481,"volume":908.5005910392708,"volume_molar":136.7779609945421,"formula_full":"Li2 Mg1 Au1","formula_reduced":"Li2MgAu","formula_anonymous":"ABC2","energy":-5.79334324,"energy_per_atom":-1.44833581,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.79334324,"band_gap":0.6383000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.999861,"is_theoretical":true,"updated_at":"2021-11-28T01:34:48.266000Z","spacegroup":71},{"id":"mp-22924","created_at":"2022-09-04T14:47:46.728073Z","structure_string":"Na1 Bi1\n1.0\n3.430193 0.000000 0.000000\n0.000000 3.430193 0.000000\n0.000000 0.000000 4.939507\nNa Bi\n1 1\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Bi\n","nsites":2,"nelements":2,"elements":["Na","Bi"],"chemical_system":"Bi-Na","density":6.627664548383457,"density_atomic":0.034411949569294206,"volume":58.11934589676955,"volume_molar":17.500144093473736,"formula_full":"Na1 Bi1","formula_reduced":"NaBi","formula_anonymous":"AB","energy":-5.7970444,"energy_per_atom":-2.8985222,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.7970444,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.05e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:38:21.376000Z","spacegroup":123}]}