{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_uncorrected&page=10223","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_uncorrected&page=10221","results":[{"id":"mp-1221442","created_at":"2022-09-04T14:40:06.361725Z","structure_string":"Mo1 Pd4\n1.0\n11.449783 -1.397928 0.000000\n11.449783 1.397928 0.000000\n11.279107 0.000000 2.415260\nMo Pd\n1 4\ndirect\n0.000000 0.000000 0.000000 Mo\n0.601779 0.601779 0.601779 Pd\n0.200401 0.200401 0.200401 Pd\n0.799599 0.799599 0.799599 Pd\n0.398221 0.398221 0.398221 Pd\n","nsites":5,"nelements":2,"elements":["Mo","Pd"],"chemical_system":"Mo-Pd","density":11.202820774796464,"density_atomic":0.06466868950403648,"volume":77.31716907125373,"volume_molar":9.312297506236169,"formula_full":"Mo1 Pd4","formula_reduced":"MoPd4","formula_anonymous":"AB4","energy":-31.818833399999995,"energy_per_atom":-6.3637666799999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.818833399999995,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0057554,"is_theoretical":true,"updated_at":"2021-11-28T01:34:48.339000Z","spacegroup":166},{"id":"mp-1209788","created_at":"2022-09-04T14:48:06.726995Z","structure_string":"Nd2 Mn1 Sb2 O1\n1.0\n3.448556 0.000000 0.000000\n0.000000 3.448556 0.000000\n0.000000 0.000000 16.308130\nNd Mn Sb O\n2 1 2 1\ndirect\n0.500000 0.500000 0.628772 Nd\n0.500000 0.500000 0.371228 Nd\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.165911 Sb\n0.500000 0.500000 0.834089 Sb\n0.500000 0.500000 0.500000 O\n","nsites":6,"nelements":4,"elements":["Nd","Mn","Sb","O"],"chemical_system":"Mn-Nd-O-Sb","density":5.162326926372713,"density_atomic":0.0309365955864899,"volume":193.94506364560092,"volume_molar":19.46607454968279,"formula_full":"Nd2 Mn1 Sb2 O1","formula_reduced":"Nd2MnSb2O","formula_anonymous":"ABC2D2","energy":-34.55746528,"energy_per_atom":-5.759577546666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.81846528,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.7236448,"is_theoretical":true,"updated_at":"2021-11-28T01:38:27.494000Z","spacegroup":123},{"id":"mp-1210196","created_at":"2022-09-04T14:46:17.312942Z","structure_string":"Nb2 Ge1 As2\n1.0\n2.743640 0.000000 0.000000\n0.000000 2.743640 0.000000\n0.000000 0.000000 14.585915\nNb Ge As\n2 1 2\ndirect\n0.500000 0.500000 0.180162 Nb\n0.500000 0.500000 0.819838 Nb\n0.500000 0.500000 0.000000 Ge\n0.500000 0.500000 0.637321 As\n0.500000 0.500000 0.362679 As\n","nsites":5,"nelements":3,"elements":["Nb","Ge","As"],"chemical_system":"As-Ge-Nb","density":6.17498987771899,"density_atomic":0.04553885158213402,"volume":109.79635687522739,"volume_molar":13.224182320756263,"formula_full":"Nb2 Ge1 As2","formula_reduced":"Nb2GeAs2","formula_anonymous":"AB2C2","energy":-31.81736868,"energy_per_atom":-6.363473736,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.81736868,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0028418,"is_theoretical":true,"updated_at":"2021-11-28T01:37:29.212000Z","spacegroup":123},{"id":"mp-1147589","created_at":"2022-09-04T14:43:11.643218Z","structure_string":"Ba2 Cu1 Se1 O2\n1.0\n4.052729 0.000000 0.000000\n0.000000 4.052729 0.000000\n0.000000 0.000000 7.561782\nBa Cu Se O\n2 1 1 2\ndirect\n0.500000 0.500000 0.748754 Ba\n0.500000 0.500000 0.251246 Ba\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Se\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n","nsites":6,"nelements":4,"elements":["Ba","Cu","Se","O"],"chemical_system":"Ba-Cu-O-Se","density":6.00523115889718,"density_atomic":0.04830943623642379,"volume":124.19933800585711,"volume_molar":12.465764929501487,"formula_full":"Ba2 Cu1 Se1 O2","formula_reduced":"Ba2CuSeO2","formula_anonymous":"ABC2D2","energy":-33.65998877,"energy_per_atom":-5.609998128333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.81398877,"band_gap":0.4947000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.093429,"is_theoretical":true,"updated_at":"2021-11-28T01:36:08.930000Z","spacegroup":123},{"id":"mp-1103566","created_at":"2022-09-04T14:43:01.176256Z","structure_string":"K8 Zn2 Bi4\n1.0\n-3.135929 -5.354407 0.000000\n-3.135929 5.354407 0.000000\n0.000000 0.000000 -17.812760\nK Zn Bi\n8 2 4\ndirect\n0.222112 0.894284 0.895958 K\n0.894284 0.222112 0.104042 K\n0.777888 0.105716 0.395958 K\n0.105716 0.777888 0.604042 K\n0.562973 0.562973 0.000000 K\n0.437027 0.437027 0.500000 K\n0.506078 0.493922 0.750000 K\n0.493922 0.506078 0.250000 K\n0.836208 0.163792 0.750000 Zn\n0.163792 0.836208 0.250000 Zn\n0.896422 0.237185 0.893603 Bi\n0.237185 0.896422 0.106397 Bi\n0.103578 0.762815 0.393603 Bi\n0.762815 0.103578 0.606397 Bi\n","nsites":14,"nelements":3,"elements":["K","Zn","Bi"],"chemical_system":"Bi-K-Zn","density":3.551889116212654,"density_atomic":0.023403953277065976,"volume":598.1895380776928,"volume_molar":25.731297139023187,"formula_full":"K8 Zn2 Bi4","formula_reduced":"K4ZnBi2","formula_anonymous":"AB2C4","energy":-31.81275281,"energy_per_atom":-2.2723394864285713,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.81275281,"band_gap":0.3290999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000398,"is_theoretical":false,"updated_at":"2021-11-28T01:36:09.869000Z","spacegroup":20},{"id":"mp-984553","created_at":"2022-09-04T14:44:08.167172Z","structure_string":"B1 Os1 O3\n1.0\n3.407419 0.000000 0.000000\n0.000000 3.407419 0.000000\n0.000000 0.000000 3.407419\nB Os O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 B\n0.500000 0.500000 0.500000 Os\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n","nsites":5,"nelements":3,"elements":["B","Os","O"],"chemical_system":"B-O-Os","density":10.45298164634174,"density_atomic":0.12638437414214396,"volume":39.56185275227554,"volume_molar":4.764940920011934,"formula_full":"B1 Os1 O3","formula_reduced":"BOsO3","formula_anonymous":"ABC3","energy":-33.87282032,"energy_per_atom":-6.774564064000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.811820319999995,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0104592,"is_theoretical":true,"updated_at":"2021-11-28T01:36:32.755000Z","spacegroup":221},{"id":"mp-1237572","created_at":"2022-09-04T14:41:35.826241Z","structure_string":"Tb2 Sb2 Pd2\n1.0\n2.438589 4.265747 0.000000\n-2.438589 4.265747 0.000000\n0.000000 0.110545 7.997325\nTb Sb Pd\n2 2 2\ndirect\n0.337790 0.337790 0.359677 Tb\n0.662210 0.662210 0.640323 Tb\n0.991631 0.991631 0.808422 Sb\n0.008369 0.008369 0.191578 Sb\n0.670849 0.670849 0.279928 Pd\n0.329151 0.329151 0.720072 Pd\n","nsites":6,"nelements":3,"elements":["Tb","Sb","Pd"],"chemical_system":"Pd-Sb-Tb","density":7.726802666999582,"density_atomic":0.03606141839798544,"volume":166.38280651587425,"volume_molar":16.69967801470733,"formula_full":"Tb2 Sb2 Pd2","formula_reduced":"TbSbPd","formula_anonymous":"ABC","energy":-32.19579162,"energy_per_atom":-5.36596527,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.81179162,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001272,"is_theoretical":true,"updated_at":"2021-11-28T01:35:31.389000Z","spacegroup":12},{"id":"mp-1114163","created_at":"2022-09-04T14:44:20.348872Z","structure_string":"Rb2 Sc1 Tl1 I6\n1.0\n0.000000 6.256123 6.256123\n6.256123 0.000000 6.256123\n6.256123 6.256123 0.000000\nRb Sc Tl I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Tl\n0.768564 0.231436 0.231436 I\n0.231436 0.231436 0.768564 I\n0.231436 0.768564 0.768564 I\n0.231436 0.768564 0.231436 I\n0.768564 0.231436 0.768564 I\n0.768564 0.768564 0.231436 I\n","nsites":10,"nelements":4,"elements":["Rb","Sc","Tl","I"],"chemical_system":"I-Rb-Sc-Tl","density":4.006923962021946,"density_atomic":0.020419926205409483,"volume":489.7177345014538,"volume_molar":29.491491298360632,"formula_full":"Rb2 Sc1 Tl1 I6","formula_reduced":"Rb2ScTlI6","formula_anonymous":"ABC2D6","energy":-34.08553217,"energy_per_atom":-3.408553217,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.81153217,"band_gap":2.3969,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006421,"is_theoretical":true,"updated_at":"2021-11-28T01:36:37.164000Z","spacegroup":225},{"id":"mp-1247418","created_at":"2022-09-04T14:40:30.723063Z","structure_string":"Li2 Mn1 N2\n1.0\n3.026200 -0.000129 0.000464\n-1.513211 2.620958 0.000000\n-0.000190 -0.000109 5.423215\nLi Mn N\n2 1 2\ndirect\n0.666490 0.333245 0.353737 Li\n0.333510 0.666755 0.646263 Li\n0.000000 0.000000 0.000000 Mn\n0.666799 0.333400 0.800681 N\n0.333201 0.666600 0.199319 N\n","nsites":5,"nelements":3,"elements":["Li","Mn","N"],"chemical_system":"Li-Mn-N","density":3.7382699111580324,"density_atomic":0.1162428312431008,"volume":43.01340518404449,"volume_molar":5.1806556117045925,"formula_full":"Li2 Mn1 N2","formula_reduced":"Li2MnN2","formula_anonymous":"AB2C2","energy":-32.53333578,"energy_per_atom":-6.506667156000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.81133578,"band_gap":0.4918999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0007373,"is_theoretical":true,"updated_at":"2021-11-28T01:35:06.379000Z","spacegroup":164},{"id":"mp-1183849","created_at":"2022-09-04T14:42:49.774927Z","structure_string":"Ce2 I6\n1.0\n5.503958 -9.533135 0.000000\n5.503958 9.533135 0.000000\n0.000000 0.000000 4.138357\nCe I\n2 6\ndirect\n0.666667 0.333333 0.250000 Ce\n0.333333 0.666667 0.750000 Ce\n0.416721 0.208361 0.750000 I\n0.791639 0.208361 0.750000 I\n0.208361 0.416721 0.250000 I\n0.583279 0.791639 0.250000 I\n0.208361 0.791639 0.250000 I\n0.791639 0.583279 0.750000 I\n","nsites":8,"nelements":2,"elements":["Ce","I"],"chemical_system":"Ce-I","density":3.9829585801414145,"density_atomic":0.0184213385485665,"volume":434.27897375147796,"volume_molar":32.69111386299682,"formula_full":"Ce2 I6","formula_reduced":"CeI3","formula_anonymous":"AB3","energy":-34.08214186,"energy_per_atom":-4.2602677325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.80814186,"band_gap":0.0462000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0035015,"is_theoretical":true,"updated_at":"2021-11-28T01:36:16.044000Z","spacegroup":194},{"id":"mp-1111120","created_at":"2022-09-04T14:42:21.908930Z","structure_string":"Li2 Cu1 Sb1 Cl6\n1.0\n0.000000 5.107667 5.107667\n5.107667 0.000000 5.107667\n5.107667 5.107667 0.000000\nLi Cu Sb Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Li\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Sb\n0.740712 0.259288 0.259288 Cl\n0.259288 0.259288 0.740712 Cl\n0.259288 0.740712 0.740712 Cl\n0.259288 0.740712 0.259288 Cl\n0.740712 0.259288 0.740712 Cl\n0.740712 0.740712 0.259288 Cl\n","nsites":10,"nelements":4,"elements":["Li","Cu","Sb","Cl"],"chemical_system":"Cl-Cu-Li-Sb","density":2.566548610997244,"density_atomic":0.03752340827312346,"volume":266.50031167778025,"volume_molar":16.049023895074644,"formula_full":"Li2 Cu1 Sb1 Cl6","formula_reduced":"Li2CuSbCl6","formula_anonymous":"ABC2D6","energy":-35.49212199,"energy_per_atom":-3.5492121990000003,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.80812199,"band_gap":0.6312000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004549,"is_theoretical":true,"updated_at":"2021-11-28T01:35:47.468000Z","spacegroup":225},{"id":"mp-1184508","created_at":"2022-09-04T14:41:45.187239Z","structure_string":"Gd1 Sn1 Pd2\n1.0\n0.000000 3.421559 3.421559\n3.421559 0.000000 3.421559\n3.421559 3.421559 0.000000\nGd Sn Pd\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Gd\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n","nsites":4,"nelements":3,"elements":["Gd","Sn","Pd"],"chemical_system":"Gd-Pd-Sn","density":10.131603828753848,"density_atomic":0.049929578070700274,"volume":80.11283400664834,"volume_molar":12.061269076763777,"formula_full":"Gd1 Sn1 Pd2","formula_reduced":"GdSnPd2","formula_anonymous":"ABC2","energy":-31.80603334,"energy_per_atom":-7.951508335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.80603334,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.090388,"is_theoretical":true,"updated_at":"2021-11-28T01:35:42.185000Z","spacegroup":225}]}