{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy&page=12179","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy&page=12177","results":[{"id":"mp-1096333","created_at":"2022-09-04T14:39:21.002481Z","structure_string":"Ba1 Na2 Ca1\n1.0\n-7.450149 7.615814 10.547823\n7.450149 -7.615814 10.547823\n7.450149 7.615814 -10.547823\nBa Na Ca\n1 2 1\ndirect\n0.500000 0.000000 0.500000 Ba\n0.238419 0.000000 0.238419 Na\n0.761581 0.000000 0.761581 Na\n0.000000 0.000000 0.000000 Ca\n","nsites":4,"nelements":3,"elements":["Ba","Na","Ca"],"chemical_system":"Ba-Ca-Na","density":0.15495232453646685,"density_atomic":0.0016709208538524553,"volume":2393.8895674068867,"volume_molar":360.4084984704945,"formula_full":"Ba1 Na2 Ca1","formula_reduced":"BaNa2Ca","formula_anonymous":"ABC2","energy":-2.21832667,"energy_per_atom":-0.5545816675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.21832667,"band_gap":0.2224000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.27e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:34.421000Z","spacegroup":71},{"id":"mp-1093601","created_at":"2022-09-04T14:43:57.068834Z","structure_string":"Li1 Ca2 Zn1\n1.0\n-6.213066 6.668243 8.793188\n6.213066 -6.668243 8.793188\n6.213066 6.668243 -8.793188\nLi Ca Zn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.744963 0.000000 0.744963 Ca\n0.255037 0.000000 0.255037 Ca\n0.500000 0.000000 0.500000 Zn\n","nsites":4,"nelements":3,"elements":["Li","Ca","Zn"],"chemical_system":"Ca-Li-Zn","density":0.17378500196334226,"density_atomic":0.0027449614943983614,"volume":1457.2153409666378,"volume_molar":219.38889752331218,"formula_full":"Li1 Ca2 Zn1","formula_reduced":"LiCa2Zn","formula_anonymous":"ABC2","energy":-2.20816651,"energy_per_atom":-0.5520416275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.20816651,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1956699,"is_theoretical":true,"updated_at":"2021-11-28T01:36:12.144000Z","spacegroup":71},{"id":"mp-972981","created_at":"2022-09-04T14:42:04.406659Z","structure_string":"K2\n1.0\n2.387715 -4.017190 0.000000\n2.387715 4.017190 0.000000\n0.000000 0.000000 7.650362\nK\n2\ndirect\n0.820386 0.179614 0.250000 K\n0.179614 0.820386 0.750000 K\n","nsites":2,"nelements":1,"elements":["K"],"chemical_system":"K","density":0.8847490924390605,"density_atomic":0.013627404705042282,"volume":146.7630882980953,"volume_molar":44.19139880517194,"formula_full":"K2","formula_reduced":"K","formula_anonymous":"A","energy":-2.20404441,"energy_per_atom":-1.102022205,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.20404441,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001087,"is_theoretical":true,"updated_at":"2021-11-28T01:35:37.695000Z","spacegroup":63},{"id":"mp-1184755","created_at":"2022-09-04T14:41:36.653318Z","structure_string":"K2\n1.0\n2.379088 -4.120701 0.000000\n2.379088 4.120701 0.000000\n0.000000 0.000000 7.586569\nK\n2\ndirect\n0.333333 0.666667 0.250000 K\n0.666667 0.333333 0.750000 K\n","nsites":2,"nelements":1,"elements":["K"],"chemical_system":"K","density":0.8729310679898711,"density_atomic":0.013445376824641508,"volume":148.75001467676051,"volume_molar":44.78967632177589,"formula_full":"K2","formula_reduced":"K","formula_anonymous":"A","energy":-2.19756261,"energy_per_atom":-1.098781305,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.19756261,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0034722,"is_theoretical":true,"updated_at":"2021-11-28T01:35:32.041000Z","spacegroup":194},{"id":"mp-1097085","created_at":"2022-09-04T14:40:24.763821Z","structure_string":"Na2 Sr1 Ca1\n1.0\n-7.244435 7.387244 10.266966\n7.244435 -7.387244 10.266966\n7.244435 7.387244 -10.266966\nNa Sr Ca\n2 1 1\ndirect\n0.754228 0.000000 0.754228 Na\n0.245772 0.000000 0.245772 Na\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Ca\n","nsites":4,"nelements":3,"elements":["Na","Sr","Ca"],"chemical_system":"Ca-Na-Sr","density":0.13122109989924757,"density_atomic":0.0018199980057303224,"volume":2197.8046060522433,"volume_molar":330.8872175155739,"formula_full":"Na2 Sr1 Ca1","formula_reduced":"Na2SrCa","formula_anonymous":"ABC2","energy":-2.17382391,"energy_per_atom":-0.5434559775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.17382391,"band_gap":0.3722999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001157,"is_theoretical":true,"updated_at":"2021-11-28T01:34:53.992000Z","spacegroup":71},{"id":"mp-1096121","created_at":"2022-09-04T14:45:14.248876Z","structure_string":"K1 Tl1 Hg2\n1.0\n-6.225479 6.437354 8.494041\n6.225479 -6.437354 8.494041\n6.225479 6.437354 -8.494041\nK Tl Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.500000 Tl\n0.259780 0.000000 0.259780 Hg\n0.740220 0.000000 0.740220 Hg\n","nsites":4,"nelements":3,"elements":["K","Tl","Hg"],"chemical_system":"Hg-K-Tl","density":0.7861879628033146,"density_atomic":0.0029376867351524325,"volume":1361.6155705562137,"volume_molar":204.9960156724308,"formula_full":"K1 Tl1 Hg2","formula_reduced":"KTlHg2","formula_anonymous":"ABC2","energy":-2.17041384,"energy_per_atom":-0.54260346,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.17041384,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1652586,"is_theoretical":true,"updated_at":"2021-11-28T01:36:50.141000Z","spacegroup":71},{"id":"mp-1096545","created_at":"2022-09-04T14:44:31.210892Z","structure_string":"Li1 Mg2 Cd1\n1.0\n-5.931944 6.008799 8.387754\n5.931944 -6.008799 8.387754\n5.931944 6.008799 -8.387754\nLi Mg Cd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.751290 0.000000 0.751290 Mg\n0.248710 0.000000 0.248710 Mg\n0.500000 0.000000 0.500000 Cd\n","nsites":4,"nelements":3,"elements":["Li","Mg","Cd"],"chemical_system":"Cd-Li-Mg","density":0.2332221204008171,"density_atomic":0.0033447956987526996,"volume":1195.8876894907605,"volume_molar":180.0450999816133,"formula_full":"Li1 Mg2 Cd1","formula_reduced":"LiMg2Cd","formula_anonymous":"ABC2","energy":-2.15953473,"energy_per_atom":-0.5398836825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.15953473,"band_gap":0.0643,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0036256,"is_theoretical":true,"updated_at":"2021-11-28T01:36:39.214000Z","spacegroup":71},{"id":"mp-1095761","created_at":"2022-09-04T14:41:10.940089Z","structure_string":"Li1 Mg1 Zn2\n1.0\n-5.582149 5.604890 7.895334\n5.582149 -5.604890 7.895334\n5.582149 5.604890 -7.895334\nLi Mg Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Mg\n0.241277 0.000000 0.241277 Zn\n0.758723 0.000000 0.758723 Zn\n","nsites":4,"nelements":3,"elements":["Li","Mg","Zn"],"chemical_system":"Li-Mg-Zn","density":0.2723558040525309,"density_atomic":0.004048190811961016,"volume":988.095716284265,"volume_molar":148.7612871954217,"formula_full":"Li1 Mg1 Zn2","formula_reduced":"LiMgZn2","formula_anonymous":"ABC2","energy":-2.14937922,"energy_per_atom":-0.537344805,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.14937922,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0028383,"is_theoretical":true,"updated_at":"2021-11-28T01:35:08.084000Z","spacegroup":71},{"id":"mp-1095995","created_at":"2022-09-04T14:40:56.137544Z","structure_string":"Na1 Tl1 Hg2\n1.0\n-5.949219 6.021277 8.548806\n5.949219 -6.021277 8.548806\n5.949219 6.021277 -8.548806\nNa Tl Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Tl\n0.248512 0.000000 0.248512 Hg\n0.751488 0.000000 0.751488 Hg\n","nsites":4,"nelements":3,"elements":["Na","Tl","Hg"],"chemical_system":"Hg-Na-Tl","density":0.8520734493816344,"density_atomic":0.0032654720834860017,"volume":1224.9377418440108,"volume_molar":184.4186875905294,"formula_full":"Na1 Tl1 Hg2","formula_reduced":"NaTlHg2","formula_anonymous":"ABC2","energy":-2.1491958,"energy_per_atom":-0.53729895,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.1491958,"band_gap":0.0341,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000602,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.299000Z","spacegroup":71},{"id":"mp-1097658","created_at":"2022-09-04T14:44:09.740267Z","structure_string":"Ba1 Na2 Sr1\n1.0\n-7.484931 7.808815 10.604926\n7.484931 -7.808815 10.604926\n7.484931 7.808815 -10.604926\nBa Na Sr\n1 2 1\ndirect\n0.500000 0.000000 0.500000 Ba\n0.246913 0.000000 0.246913 Na\n0.753087 0.000000 0.753087 Na\n0.000000 0.000000 0.000000 Sr\n","nsites":4,"nelements":3,"elements":["Ba","Na","Sr"],"chemical_system":"Ba-Na-Sr","density":0.18145129703615767,"density_atomic":0.0016133159313544878,"volume":2479.3655862814976,"volume_molar":373.2772139021776,"formula_full":"Ba1 Na2 Sr1","formula_reduced":"BaNa2Sr","formula_anonymous":"ABC2","energy":-2.11794879,"energy_per_atom":-0.5294871975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.11794879,"band_gap":0.2492000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0019104,"is_theoretical":true,"updated_at":"2021-11-28T01:36:26.066000Z","spacegroup":71},{"id":"mp-1056079","created_at":"2022-09-04T14:42:54.420688Z","structure_string":"Cu1\n1.0\n2.289597 0.000000 0.000000\n0.000000 11.842895 0.000000\n0.000000 4.704599 22.255763\nCu\n1\ndirect\n0.500000 0.500000 0.500000 Cu\n","nsites":1,"nelements":1,"elements":["Cu"],"chemical_system":"Cu","density":0.17485493810818842,"density_atomic":0.0016570689740227449,"volume":603.4751815866622,"volume_molar":363.42124886814395,"formula_full":"Cu1","formula_reduced":"Cu","formula_anonymous":"A","energy":-2.11627218,"energy_per_atom":-2.11627218,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.11627218,"band_gap":1.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0404744,"is_theoretical":false,"updated_at":"2021-11-28T01:35:51.816000Z","spacegroup":10},{"id":"mp-11299","created_at":"2022-09-04T14:40:25.393244Z","structure_string":"Cd2 Hg1\n1.0\n-2.021784 2.021784 4.422565\n2.021784 -2.021784 4.422565\n2.021784 2.021784 -4.422565\nCd Hg\n2 1\ndirect\n0.333375 0.333375 0.000000 Cd\n0.666625 0.666625 0.000000 Cd\n0.000000 0.000000 0.000000 Hg\n","nsites":3,"nelements":2,"elements":["Cd","Hg"],"chemical_system":"Cd-Hg","density":9.769112416872575,"density_atomic":0.04148752510154943,"volume":72.31089327832571,"volume_molar":14.515545926780508,"formula_full":"Cd2 Hg1","formula_reduced":"Cd2Hg","formula_anonymous":"AB2","energy":-2.10430577,"energy_per_atom":-0.7014352566666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.10430577,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010369,"is_theoretical":false,"updated_at":"2021-11-28T01:35:02.978000Z","spacegroup":139}]}