{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=12161","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=12159","results":[{"id":"mp-1187769","created_at":"2022-09-04T14:42:17.607817Z","structure_string":"Xe3\n1.0\n11.759570 -2.415816 0.000000\n11.759570 2.415816 0.000000\n11.263279 0.000000 4.154780\nXe\n3\ndirect\n0.000000 0.000000 0.000000 Xe\n0.222295 0.222295 0.222295 Xe\n0.777705 0.777705 0.777705 Xe\n","nsites":3,"nelements":1,"elements":["Xe"],"chemical_system":"Xe","density":2.7706304386431087,"density_atomic":0.012708313848579412,"volume":236.06593571304916,"volume_molar":47.387409783503095,"formula_full":"Xe3","formula_reduced":"Xe","formula_anonymous":"A","energy":-0.1020993,"energy_per_atom":-0.034033100000000004,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-0.1020993,"band_gap":6.2294,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0023449,"is_theoretical":true,"updated_at":"2021-11-28T01:35:40.185000Z","spacegroup":166},{"id":"mp-23157","created_at":"2022-09-04T14:42:16.611104Z","structure_string":"Bi2\n1.0\n3.132578 3.488598 0.000000\n-3.132578 3.488598 0.000000\n0.000000 1.260235 3.113550\nBi\n2\ndirect\n0.753061 0.753061 0.142618 Bi\n0.246939 0.246939 0.857382 Bi\n","nsites":2,"nelements":1,"elements":["Bi"],"chemical_system":"Bi","density":10.198727503087682,"density_atomic":0.029389441602036444,"volume":68.05165021785976,"volume_molar":20.490830828111807,"formula_full":"Bi2","formula_reduced":"Bi","formula_anonymous":"A","energy":-7.67946817,"energy_per_atom":-3.839734085,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.67946817,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003114,"is_theoretical":false,"updated_at":"2021-11-28T01:35:40.233000Z","spacegroup":12},{"id":"mp-1067793","created_at":"2022-09-04T14:42:21.560607Z","structure_string":"F4\n1.0\n1.628935 2.634576 0.000000\n-1.628935 2.634576 0.000000\n0.000000 0.929068 5.450456\nF\n4\ndirect\n0.234385 0.280933 0.706899 F\n0.719067 0.765615 0.793101 F\n0.765615 0.719067 0.293101 F\n0.280933 0.234385 0.206899 F\n","nsites":4,"nelements":1,"elements":["F"],"chemical_system":"F","density":2.6974218392729252,"density_atomic":0.08550325961506765,"volume":46.78184221289158,"volume_molar":7.043170970453575,"formula_full":"F4","formula_reduced":"F","formula_anonymous":"A","energy":-6.53697971,"energy_per_atom":-1.6342449275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.53697971,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005249,"is_theoretical":true,"updated_at":"2021-11-28T01:35:44.688000Z","spacegroup":15},{"id":"mp-1009490","created_at":"2022-09-04T14:45:20.147462Z","structure_string":"O2\n1.0\n2.364873 2.362370 0.000000\n-2.364873 2.362370 0.000000\n0.000000 2.006947 4.167954\nO\n2\ndirect\n0.937265 0.937265 0.147913 O\n0.062735 0.062735 0.852087 O\n","nsites":2,"nelements":1,"elements":["O"],"chemical_system":"O","density":1.1409697618155776,"density_atomic":0.042945863663209745,"volume":46.57025914496468,"volume_molar":14.022632790032727,"formula_full":"O2","formula_reduced":"O","formula_anonymous":"A","energy":-9.89248683,"energy_per_atom":-4.946243415,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.89248683,"band_gap":1.6288,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":1.9990628,"is_theoretical":true,"updated_at":"2021-11-28T01:36:59.049000Z","spacegroup":12},{"id":"mp-1096826","created_at":"2022-09-04T14:45:18.336401Z","structure_string":"As1\n1.0\n0.000000 2.133318 2.133318\n2.133318 0.000000 2.133318\n2.133318 2.133318 0.000000\nAs\n1\ndirect\n0.500000 0.500000 0.500000 As\n","nsites":1,"nelements":1,"elements":["As"],"chemical_system":"As","density":6.407068275258615,"density_atomic":0.051499523536432355,"volume":19.417655374861265,"volume_molar":11.693585389658512,"formula_full":"As1","formula_reduced":"As","formula_anonymous":"A","energy":-4.10052398,"energy_per_atom":-4.10052398,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.10052398,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002499,"is_theoretical":true,"updated_at":"2021-11-28T01:36:56.996000Z","spacegroup":225},{"id":"mp-12771","created_at":"2022-09-04T14:45:19.661585Z","structure_string":"Se2\n1.0\n0.000000 3.171379 3.171379\n3.171379 0.000000 3.171379\n3.171379 3.171379 0.000000\nSe\n2\ndirect\n0.500000 0.500000 0.500000 Se\n0.750000 0.750000 0.750000 Se\n","nsites":2,"nelements":1,"elements":["Se"],"chemical_system":"Se","density":4.110662289330585,"density_atomic":0.031351300572096535,"volume":63.79320677305654,"volume_molar":19.208583535956592,"formula_full":"Se2","formula_reduced":"Se","formula_anonymous":"A","energy":-5.96357348,"energy_per_atom":-2.98178674,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.96357348,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007519,"is_theoretical":false,"updated_at":"2021-11-28T01:37:02.414000Z","spacegroup":227},{"id":"mp-1192619","created_at":"2022-09-04T14:45:25.432619Z","structure_string":"C29\n1.0\n-4.481786 4.481786 4.481786\n4.481786 -4.481786 4.481786\n4.481786 4.481786 -4.481786\nC\n29\ndirect\n0.000000 0.000000 0.000000 C\n0.376939 0.277124 0.000000 C\n0.099815 0.722876 0.722876 C\n0.376939 0.000000 0.277124 C\n0.277124 0.376939 0.000000 C\n0.000000 0.376939 0.277124 C\n0.722876 0.099815 0.722876 C\n0.722876 0.722876 0.099815 C\n0.000000 0.277124 0.376939 C\n0.277124 0.000000 0.376939 C\n0.623061 0.623061 0.900185 C\n0.900185 0.623061 0.623061 C\n0.623061 0.900185 0.623061 C\n0.809281 0.000000 0.000000 C\n0.000000 0.809281 0.000000 C\n0.000000 0.000000 0.809281 C\n0.190719 0.190719 0.190719 C\n0.410398 0.114232 0.000000 C\n0.296166 0.885768 0.885768 C\n0.410398 0.000000 0.114232 C\n0.114232 0.410398 0.000000 C\n0.000000 0.410398 0.114232 C\n0.885768 0.296166 0.885768 C\n0.885768 0.885768 0.296166 C\n0.000000 0.114232 0.410398 C\n0.114232 0.000000 0.410398 C\n0.589602 0.589602 0.703834 C\n0.703834 0.589602 0.589602 C\n0.589602 0.703834 0.589602 C\n","nsites":29,"nelements":1,"elements":["C"],"chemical_system":"C","density":1.6062090794357238,"density_atomic":0.08053499937301466,"volume":360.09188831902077,"volume_molar":7.477669096521872,"formula_full":"C29","formula_reduced":"C","formula_anonymous":"A","energy":-211.94288376,"energy_per_atom":-7.308375302068965,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-211.94288376,"band_gap":0.0667999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0228029,"is_theoretical":true,"updated_at":"2021-11-28T01:36:57.993000Z","spacegroup":217},{"id":"mp-11","created_at":"2022-09-04T14:45:18.165718Z","structure_string":"As2\n1.0\n3.707423 -1.913943 0.000000\n3.707423 1.913943 0.000000\n2.719357 0.000000 3.164373\nAs\n2\ndirect\n0.227320 0.227320 0.227320 As\n0.772680 0.772680 0.772680 As\n","nsites":2,"nelements":1,"elements":["As"],"chemical_system":"As","density":5.540734383642445,"density_atomic":0.04453599814152073,"volume":44.90749244340856,"volume_molar":13.521962033642135,"formula_full":"As2","formula_reduced":"As","formula_anonymous":"A","energy":-9.31823681,"energy_per_atom":-4.659118405,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.31823681,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.001467,"is_theoretical":false,"updated_at":"2021-11-28T01:37:00.468000Z","spacegroup":166},{"id":"mp-570384","created_at":"2022-09-04T14:45:23.535245Z","structure_string":"Ba4\n1.0\n-4.172434 4.172434 3.775774\n4.172434 -4.172434 3.775774\n4.172434 4.172434 -3.775774\nBa\n4\ndirect\n0.174989 0.674989 0.849978 Ba\n0.825011 0.325011 0.150022 Ba\n0.674989 0.825011 0.500000 Ba\n0.325011 0.174989 0.500000 Ba\n","nsites":4,"nelements":1,"elements":["Ba"],"chemical_system":"Ba","density":3.4691261065084897,"density_atomic":0.015213006717400479,"volume":262.9329017139552,"volume_molar":39.58547361391708,"formula_full":"Ba4","formula_reduced":"Ba","formula_anonymous":"A","energy":-7.15351697,"energy_per_atom":-1.7883792425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.15351697,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010564,"is_theoretical":false,"updated_at":"2021-11-28T01:37:06.455000Z","spacegroup":140},{"id":"mp-567144","created_at":"2022-09-04T14:45:26.407873Z","structure_string":"Sb4\n1.0\n-4.107000 4.107000 2.028685\n4.107000 -4.107000 2.028685\n4.107000 4.107000 -2.028685\nSb\n4\ndirect\n0.650122 0.849878 0.500000 Sb\n0.150122 0.650122 0.800243 Sb\n0.349878 0.150122 0.500000 Sb\n0.849878 0.349878 0.199757 Sb\n","nsites":4,"nelements":1,"elements":["Sb"],"chemical_system":"Sb","density":5.908669698900873,"density_atomic":0.02922375217101227,"volume":136.87496309826,"volume_molar":20.607007357438185,"formula_full":"Sb4","formula_reduced":"Sb","formula_anonymous":"A","energy":-15.3789281,"energy_per_atom":-3.844732025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.3789281,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0058366,"is_theoretical":false,"updated_at":"2021-11-28T01:37:02.219000Z","spacegroup":140},{"id":"mp-22692","created_at":"2022-09-04T14:45:20.247751Z","structure_string":"Pb1\n1.0\n-2.002209 2.002209 2.002209\n2.002209 -2.002209 2.002209\n2.002209 2.002209 -2.002209\nPb\n1\ndirect\n0.000000 0.000000 0.000000 Pb\n","nsites":1,"nelements":1,"elements":["Pb"],"chemical_system":"Pb","density":10.716442290650697,"density_atomic":0.031146681439680295,"volume":32.10614915546086,"volume_molar":19.334774947574047,"formula_full":"Pb1","formula_reduced":"Pb","formula_anonymous":"A","energy":-3.66510887,"energy_per_atom":-3.66510887,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.66510887,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004736,"is_theoretical":false,"updated_at":"2021-11-28T01:36:53.844000Z","spacegroup":229},{"id":"mp-12103","created_at":"2022-09-04T14:45:26.408289Z","structure_string":"N2\n1.0\n1.964502 -3.402617 0.000000\n1.964502 3.402617 0.000000\n0.000000 0.000000 6.393125\nN\n2\ndirect\n0.333333 0.666667 0.250000 N\n0.666667 0.333333 0.750000 N\n","nsites":2,"nelements":1,"elements":["N"],"chemical_system":"N","density":0.5442597096436589,"density_atomic":0.023400291164967585,"volume":85.46902198354636,"volume_molar":25.735324050222527,"formula_full":"N2","formula_reduced":"N","formula_anonymous":"A","energy":-6.25202174,"energy_per_atom":-3.12601087,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.25202174,"band_gap":0.9634999999999998,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":6.0000805,"is_theoretical":false,"updated_at":"2021-11-28T01:37:00.588000Z","spacegroup":194}]}