{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-density&page=12161","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-density&page=12159","results":[{"id":"mp-1206475","created_at":"2022-09-04T14:44:24.762594Z","structure_string":"La2 Ag1 Sb3\n1.0\n9.179092 0.000000 0.000000\n0.000000 9.179092 0.000000\n0.000000 0.000000 40.754130\nLa Ag Sb\n2 1 3\ndirect\n0.500000 0.500000 0.242859 La\n0.500000 0.500000 0.757141 La\n0.500000 0.500000 0.500000 Ag\n0.500000 0.500000 0.690858 Sb\n0.500000 0.500000 0.309142 Sb\n0.500000 0.500000 0.000000 Sb\n","nsites":6,"nelements":3,"elements":["La","Ag","Sb"],"chemical_system":"Ag-La-Sb","density":0.363156927497468,"density_atomic":0.0017473511031089984,"volume":3433.768971401579,"volume_molar":344.6440013850121,"formula_full":"La2 Ag1 Sb3","formula_reduced":"La2AgSb3","formula_anonymous":"AB2C3","energy":-12.98597977,"energy_per_atom":-2.1643299616666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.40997977,"band_gap":0.0995999999999996,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.8667946,"is_theoretical":true,"updated_at":"2021-11-28T01:36:43.438000Z","spacegroup":123},{"id":"mp-1096265","created_at":"2022-09-04T14:44:57.884244Z","structure_string":"Li1 Sc2 Co1\n1.0\n-4.980656 5.264044 6.805941\n4.980656 -5.264044 6.805941\n4.980656 5.264044 -6.805941\nLi Sc Co\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.696093 0.000000 0.696093 Sc\n0.303907 0.000000 0.303907 Sc\n0.500000 0.000000 0.500000 Co\n","nsites":4,"nelements":3,"elements":["Li","Sc","Co"],"chemical_system":"Co-Li-Sc","density":0.36242933952965745,"density_atomic":0.005604098526853528,"volume":713.763325329299,"volume_molar":107.4595803614678,"formula_full":"Li1 Sc2 Co1","formula_reduced":"LiSc2Co","formula_anonymous":"ABC2","energy":-13.13968948,"energy_per_atom":-3.28492237,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.13968948,"band_gap":0.3705,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":1.9129402,"is_theoretical":true,"updated_at":"2021-11-28T01:36:47.959000Z","spacegroup":71},{"id":"mp-1095810","created_at":"2022-09-04T14:43:12.120054Z","structure_string":"Sr2 Mg1 Pb1\n1.0\n-6.883809 6.911254 9.809423\n6.883809 -6.911254 9.809423\n6.883809 6.911254 -9.809423\nSr Mg Pb\n2 1 1\ndirect\n0.000000 0.267935 0.267935 Sr\n0.000000 0.732065 0.732065 Sr\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Pb\n","nsites":4,"nelements":3,"elements":["Sr","Mg","Pb"],"chemical_system":"Mg-Pb-Sr","density":0.36181136167932293,"density_atomic":0.002142746880087649,"volume":1866.7627227329717,"volume_molar":281.04769704547016,"formula_full":"Sr2 Mg1 Pb1","formula_reduced":"Sr2MgPb","formula_anonymous":"ABC2","energy":-3.74767763,"energy_per_atom":-0.9369194075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.74767763,"band_gap":0.0116,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.1314058,"is_theoretical":true,"updated_at":"2021-11-28T01:36:02.562000Z","spacegroup":71},{"id":"mp-1207311","created_at":"2022-09-04T14:41:50.612063Z","structure_string":"Nd2 Ag1 Sb3\n1.0\n9.261958 0.000000 0.000000\n0.000000 9.261958 0.000000\n0.000000 0.000000 40.837260\nNd Ag Sb\n2 1 3\ndirect\n0.500000 0.500000 0.242751 Nd\n0.500000 0.500000 0.757249 Nd\n0.500000 0.500000 0.500000 Ag\n0.500000 0.500000 0.690769 Sb\n0.500000 0.500000 0.309231 Sb\n0.500000 0.500000 0.000000 Sb\n","nsites":6,"nelements":3,"elements":["Nd","Ag","Sb"],"chemical_system":"Ag-Nd-Sb","density":0.3610207669319099,"density_atomic":0.001712730535682533,"volume":3503.1780393924987,"volume_molar":351.61052100937417,"formula_full":"Nd2 Ag1 Sb3","formula_reduced":"Nd2AgSb3","formula_anonymous":"AB2C3","energy":-12.097316,"energy_per_atom":-2.0162193333333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.521316,"band_gap":0.0668999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9227841,"is_theoretical":true,"updated_at":"2021-11-28T01:35:35.008000Z","spacegroup":123},{"id":"mp-1093819","created_at":"2022-09-04T14:43:13.989575Z","structure_string":"Li1 Sc1 Cd2\n1.0\n-5.902189 6.108814 8.829955\n5.902189 -6.108814 8.829955\n5.902189 6.108814 -8.829955\nLi Sc Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Sc\n0.000000 0.237462 0.237462 Cd\n0.000000 0.762538 0.762538 Cd\n","nsites":4,"nelements":3,"elements":["Li","Sc","Cd"],"chemical_system":"Cd-Li-Sc","density":0.36082734512179976,"density_atomic":0.0031410257396957443,"volume":1273.4693477511778,"volume_molar":191.72529164257458,"formula_full":"Li1 Sc1 Cd2","formula_reduced":"LiScCd2","formula_anonymous":"ABC2","energy":-4.68509104,"energy_per_atom":-1.17127276,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.68509104,"band_gap":0.0509999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0401464,"is_theoretical":true,"updated_at":"2021-11-28T01:36:18.501000Z","spacegroup":71},{"id":"mp-1096052","created_at":"2022-09-04T14:48:20.565974Z","structure_string":"Li1 Al2 Ru1\n1.0\n-5.109272 5.142555 7.092815\n5.109272 -5.142555 7.092815\n5.109272 5.142555 -7.092815\nLi Al Ru\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.729359 0.000000 0.729359 Al\n0.270641 0.000000 0.270641 Al\n0.500000 0.000000 0.500000 Ru\n","nsites":4,"nelements":3,"elements":["Li","Al","Ru"],"chemical_system":"Al-Li-Ru","density":0.3608095460178693,"density_atomic":0.005365910180156151,"volume":745.4466932362252,"volume_molar":112.2296228936272,"formula_full":"Li1 Al2 Ru1","formula_reduced":"LiAl2Ru","formula_anonymous":"ABC2","energy":-10.24213601,"energy_per_atom":-2.5605340025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.24213601,"band_gap":0.0028999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.049968,"is_theoretical":true,"updated_at":"2021-11-28T01:39:04.849000Z","spacegroup":71},{"id":"mp-1097579","created_at":"2022-09-04T14:44:57.261563Z","structure_string":"Li1 Al1 Ga2\n1.0\n-5.173162 5.225143 7.382742\n5.173162 -5.225143 7.382742\n5.173162 5.225143 -7.382742\nLi Al Ga\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Al\n0.000000 0.256517 0.256517 Ga\n0.000000 0.743483 0.743483 Ga\n","nsites":4,"nelements":3,"elements":["Li","Al","Ga"],"chemical_system":"Al-Ga-Li","density":0.36065125141098026,"density_atomic":0.005011042071546034,"volume":798.2371616301155,"volume_molar":120.17741367998565,"formula_full":"Li1 Al1 Ga2","formula_reduced":"LiAlGa2","formula_anonymous":"ABC2","energy":-6.91643906,"energy_per_atom":-1.729109765,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.91643906,"band_gap":0.6543000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.9999106,"is_theoretical":true,"updated_at":"2021-11-28T01:36:43.249000Z","spacegroup":71},{"id":"mp-1095881","created_at":"2022-09-04T14:39:27.446377Z","structure_string":"Ba1 Sr1 Cd2\n1.0\n-7.039475 7.532108 9.767602\n7.039475 -7.532108 9.767602\n7.039475 7.532108 -9.767602\nBa Sr Cd\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.247223 0.000000 0.247223 Cd\n0.752777 0.000000 0.752777 Cd\n","nsites":4,"nelements":3,"elements":["Ba","Sr","Cd"],"chemical_system":"Ba-Cd-Sr","density":0.3605237337973591,"density_atomic":0.001930879783176484,"volume":2071.5945315972044,"volume_molar":311.8858466731158,"formula_full":"Ba1 Sr1 Cd2","formula_reduced":"BaSrCd2","formula_anonymous":"ABC2","energy":-1.26356661,"energy_per_atom":-0.3158916525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.26356661,"band_gap":0.0255999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003674,"is_theoretical":true,"updated_at":"2021-11-28T01:34:36.355000Z","spacegroup":71},{"id":"mp-1096755","created_at":"2022-09-04T14:41:11.437490Z","structure_string":"Sr2 Li1 Rh1\n1.0\n-6.015033 6.268271 8.718459\n6.015033 -6.268271 8.718459\n6.015033 6.268271 -8.718459\nSr Li Rh\n2 1 1\ndirect\n0.000000 0.291302 0.291302 Sr\n0.000000 0.708698 0.708698 Sr\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Rh\n","nsites":4,"nelements":3,"elements":["Sr","Li","Rh"],"chemical_system":"Li-Rh-Sr","density":0.3600312929609051,"density_atomic":0.003042107044654359,"volume":1314.8781227238096,"volume_molar":197.95952843218342,"formula_full":"Sr2 Li1 Rh1","formula_reduced":"Sr2LiRh","formula_anonymous":"ABC2","energy":-7.53348738,"energy_per_atom":-1.883371845,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.53348738,"band_gap":0.1303999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001022,"is_theoretical":true,"updated_at":"2021-11-28T01:35:14.138000Z","spacegroup":71},{"id":"mp-1095942","created_at":"2022-09-04T14:40:17.124441Z","structure_string":"Sr2 Mg1 Tl1\n1.0\n-6.910624 6.935824 9.719393\n6.910624 -6.935824 9.719393\n6.910624 6.935824 -9.719393\nSr Mg Tl\n2 1 1\ndirect\n0.000000 0.268139 0.268139 Sr\n0.000000 0.731861 0.731861 Sr\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Tl\n","nsites":4,"nelements":3,"elements":["Sr","Mg","Tl"],"chemical_system":"Mg-Sr-Tl","density":0.3599472970033645,"density_atomic":0.0021465723391848324,"volume":1863.435919200847,"volume_molar":280.5468350666872,"formula_full":"Sr2 Mg1 Tl1","formula_reduced":"Sr2MgTl","formula_anonymous":"ABC2","energy":-2.43945031,"energy_per_atom":-0.6098625775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.43945031,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9997279,"is_theoretical":true,"updated_at":"2021-11-28T01:34:51.767000Z","spacegroup":71},{"id":"mp-1096602","created_at":"2022-09-04T14:48:02.835122Z","structure_string":"Sr2 Cd1 Ge1\n1.0\n-6.529242 6.716099 9.486705\n6.529242 -6.716099 9.486705\n6.529242 6.716099 -9.486705\nSr Cd Ge\n2 1 1\ndirect\n0.000000 0.226546 0.226546 Sr\n0.000000 0.773454 0.773453 Sr\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ge\n","nsites":4,"nelements":3,"elements":["Sr","Cd","Ge"],"chemical_system":"Cd-Ge-Sr","density":0.3595400454399283,"density_atomic":0.002403835525443923,"volume":1664.0073572676351,"volume_molar":250.52216327853273,"formula_full":"Sr2 Cd1 Ge1","formula_reduced":"Sr2CdGe","formula_anonymous":"ABC2","energy":-4.34072892,"energy_per_atom":-1.08518223,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.34072892,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.2674421,"is_theoretical":true,"updated_at":"2021-11-28T01:38:23.482000Z","spacegroup":71},{"id":"mp-1207280","created_at":"2022-09-04T14:39:59.175826Z","structure_string":"Ho2 Te3\n1.0\n9.591044 0.000000 0.000000\n0.000000 9.591044 0.000000\n0.000000 0.000000 35.792405\nHo Te\n2 3\ndirect\n0.500000 0.500000 0.284468 Ho\n0.500000 0.500000 0.715532 Ho\n0.500000 0.500000 0.642286 Te\n0.500000 0.500000 0.357714 Te\n0.500000 0.500000 0.000000 Te\n","nsites":5,"nelements":2,"elements":["Ho","Te"],"chemical_system":"Ho-Te","density":0.3594257795291503,"density_atomic":0.001518613850938421,"volume":3292.4762255462583,"volume_molar":396.5551055838615,"formula_full":"Ho2 Te3","formula_reduced":"Ho2Te3","formula_anonymous":"A2B3","energy":-12.81082261,"energy_per_atom":-2.562164522,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.54482261,"band_gap":0.092,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.5194534,"is_theoretical":true,"updated_at":"2021-11-28T01:34:43.745000Z","spacegroup":123}]}