{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy&page=54","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy&page=52","results":[{"id":"mp-1096038","created_at":"2022-09-04T14:46:58.421046Z","structure_string":"Li1 La2 Hg1\n1.0\n-5.915391 6.197638 8.378822\n5.915391 -6.197638 8.378822\n5.915391 6.197638 -8.378822\nLi La Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.745184 0.000000 0.745184 La\n0.254816 0.000000 0.254816 La\n0.500000 0.000000 0.500000 Hg\n","nsites":4,"nelements":3,"elements":["Li","La","Hg"],"chemical_system":"Hg-La-Li","density":0.6559100744797296,"density_atomic":0.0032554225961053725,"volume":1228.719123835229,"volume_molar":184.9879879559905,"formula_full":"Li1 La2 Hg1","formula_reduced":"LiLa2Hg","formula_anonymous":"ABC2","energy":-4.2531831,"energy_per_atom":-1.063295775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.2531831,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.8250459,"is_theoretical":true,"updated_at":"2021-11-28T01:37:46.361000Z","spacegroup":71},{"id":"mp-1096278","created_at":"2022-09-04T14:47:38.543073Z","structure_string":"Na1 Li1 Tl2\n1.0\n-6.181795 6.839335 9.206058\n6.181795 -6.839335 9.206058\n6.181795 6.839335 -9.206058\nNa Li Tl\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Li\n0.000000 0.237326 0.237326 Tl\n0.000000 0.762674 0.762674 Tl\n","nsites":4,"nelements":3,"elements":["Na","Li","Tl"],"chemical_system":"Li-Na-Tl","density":0.46789882436294616,"density_atomic":0.0025691994345445864,"volume":1556.9052157716342,"volume_molar":234.39755898387384,"formula_full":"Na1 Li1 Tl2","formula_reduced":"NaLiTl2","formula_anonymous":"ABC2","energy":-4.25579217,"energy_per_atom":-1.0639480425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.25579217,"band_gap":0.0472999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.3e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:38:18.139000Z","spacegroup":71},{"id":"mp-1185207","created_at":"2022-09-04T14:42:07.418303Z","structure_string":"Li1 Cd1 Hg2\n1.0\n0.000000 3.502362 3.502362\n3.502362 0.000000 3.502362\n3.502362 3.502362 0.000000\nLi Cd Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n","nsites":4,"nelements":3,"elements":["Li","Cd","Hg"],"chemical_system":"Cd-Hg-Li","density":10.059663144273435,"density_atomic":0.046552916995638474,"volume":85.92372418627943,"volume_molar":12.93611904182978,"formula_full":"Li1 Cd1 Hg2","formula_reduced":"LiCdHg2","formula_anonymous":"ABC2","energy":-4.25836963,"energy_per_atom":-1.0645924075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.25836963,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005768,"is_theoretical":true,"updated_at":"2021-11-28T01:35:30.672000Z","spacegroup":225},{"id":"mp-974959","created_at":"2022-09-04T14:41:27.859575Z","structure_string":"Rb3 Li1\n1.0\n-3.283282 3.283282 6.460627\n3.283282 -3.283282 6.460627\n3.283282 3.283282 -6.460627\nRb Li\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Li\n","nsites":4,"nelements":2,"elements":["Rb","Li"],"chemical_system":"Li-Rb","density":1.5697198642323973,"density_atomic":0.014358496295258025,"volume":278.58070356023444,"volume_molar":41.94130524648913,"formula_full":"Rb3 Li1","formula_reduced":"Rb3Li","formula_anonymous":"AB3","energy":-4.25982999,"energy_per_atom":-1.0649574975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.25982999,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0029794,"is_theoretical":true,"updated_at":"2021-11-28T01:35:14.281000Z","spacegroup":139},{"id":"mp-975053","created_at":"2022-09-04T14:43:39.706517Z","structure_string":"Rb3 Ba1\n1.0\n-3.371459 3.371459 7.371348\n3.371459 -3.371459 7.371348\n3.371459 3.371459 -7.371348\nRb Ba\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Ba\n","nsites":4,"nelements":2,"elements":["Rb","Ba"],"chemical_system":"Ba-Rb","density":1.9507668832250251,"density_atomic":0.011934859756612515,"volume":335.15266048968846,"volume_molar":50.45841243893486,"formula_full":"Rb3 Ba1","formula_reduced":"Rb3Ba","formula_anonymous":"AB3","energy":-4.25989498,"energy_per_atom":-1.064973745,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.25989498,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.3799371,"is_theoretical":true,"updated_at":"2021-11-28T01:36:18.350000Z","spacegroup":139},{"id":"mp-1095972","created_at":"2022-09-04T14:47:22.444443Z","structure_string":"Sr2 Hg1 Ge1\n1.0\n-6.410819 6.531191 9.241228\n6.410819 -6.531191 9.241228\n6.410819 6.531191 -9.241228\nSr Hg Ge\n2 1 1\ndirect\n0.000000 0.224059 0.224059 Sr\n0.000000 0.775941 0.775941 Sr\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Ge\n","nsites":4,"nelements":3,"elements":["Sr","Hg","Ge"],"chemical_system":"Ge-Hg-Sr","density":0.4811571208264284,"density_atomic":0.00258442786388782,"volume":1547.7313396484974,"volume_molar":233.0163996506655,"formula_full":"Sr2 Hg1 Ge1","formula_reduced":"Sr2HgGe","formula_anonymous":"ABC2","energy":-4.26140228,"energy_per_atom":-1.06535057,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.26140228,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9597516,"is_theoretical":true,"updated_at":"2021-11-28T01:38:06.774000Z","spacegroup":71},{"id":"mp-1093602","created_at":"2022-09-04T14:39:59.541302Z","structure_string":"Ba2 Zn1 Pb1\n1.0\n-6.276325 7.189133 10.167398\n6.276325 -7.189133 10.167398\n6.276325 7.189133 -10.167398\nBa Zn Pb\n2 1 1\ndirect\n0.000000 0.252126 0.252126 Ba\n0.000000 0.747874 0.747874 Ba\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Pb\n","nsites":4,"nelements":3,"elements":["Ba","Zn","Pb"],"chemical_system":"Ba-Pb-Zn","density":0.49521458440537564,"density_atomic":0.002179757765260707,"volume":1835.066292112319,"volume_molar":276.2756878757916,"formula_full":"Ba2 Zn1 Pb1","formula_reduced":"Ba2ZnPb","formula_anonymous":"ABC2","energy":-4.2695968,"energy_per_atom":-1.0673992,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.2695968,"band_gap":0.1117999999999999,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":1.83e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:45.681000Z","spacegroup":71},{"id":"mp-974938","created_at":"2022-09-04T14:47:18.362973Z","structure_string":"Rb3 Li1\n1.0\n6.545835 0.000000 0.000000\n0.000000 6.545835 0.000000\n0.000000 0.000000 6.545835\nRb Li\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Li\n","nsites":4,"nelements":2,"elements":["Rb","Li"],"chemical_system":"Li-Rb","density":1.5591145457043567,"density_atomic":0.01426148763131443,"volume":280.4756490632201,"volume_molar":42.226595960276846,"formula_full":"Rb3 Li1","formula_reduced":"Rb3Li","formula_anonymous":"AB3","energy":-4.26992911,"energy_per_atom":-1.0674822775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.26992911,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0012018,"is_theoretical":true,"updated_at":"2021-11-28T01:37:59.387000Z","spacegroup":221},{"id":"mp-1097380","created_at":"2022-09-04T14:47:05.734485Z","structure_string":"Li1 Ca2 Ag1\n1.0\n-6.266142 6.387362 8.858483\n6.266142 -6.387362 8.858483\n6.266142 6.387362 -8.858483\nLi Ca Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.265457 0.000000 0.265457 Ca\n0.734543 0.000000 0.734543 Ca\n0.500000 0.000000 0.500000 Ag\n","nsites":4,"nelements":3,"elements":["Li","Ca","Ag"],"chemical_system":"Ag-Ca-Li","density":0.22827854038387277,"density_atomic":0.0028204530924577347,"volume":1418.2118506762372,"volume_molar":213.51678480681005,"formula_full":"Li1 Ca2 Ag1","formula_reduced":"LiCa2Ag","formula_anonymous":"ABC2","energy":-4.27229858,"energy_per_atom":-1.068074645,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.27229858,"band_gap":0.6486000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:52.415000Z","spacegroup":71},{"id":"mp-1096445","created_at":"2022-09-04T14:39:41.032459Z","structure_string":"Cs1 Rb2 Bi1\n1.0\n-7.756910 8.343144 11.143662\n7.756910 -8.343144 11.143662\n7.756910 8.343144 -11.143662\nCs Rb Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Cs\n0.285202 0.000000 0.285202 Rb\n0.714798 0.000000 0.714798 Rb\n0.500000 0.000000 0.500000 Bi\n","nsites":4,"nelements":3,"elements":["Cs","Rb","Bi"],"chemical_system":"Bi-Cs-Rb","density":0.29519491160805855,"density_atomic":0.0013866076026012074,"volume":2884.7382579586306,"volume_molar":434.30749612960165,"formula_full":"Cs1 Rb2 Bi1","formula_reduced":"CsRb2Bi","formula_anonymous":"ABC2","energy":-4.2749206,"energy_per_atom":-1.06873015,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.2749206,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.3451443,"is_theoretical":true,"updated_at":"2021-11-28T01:34:42.924000Z","spacegroup":71},{"id":"mp-974950","created_at":"2022-09-04T14:46:35.200597Z","structure_string":"Rb3 Li1\n1.0\n0.000000 5.149709 5.149709\n5.149709 0.000000 5.149709\n5.149709 5.149709 0.000000\nRb Li\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Li\n","nsites":4,"nelements":2,"elements":["Rb","Li"],"chemical_system":"Li-Rb","density":1.6010139776639574,"density_atomic":0.014644748907592878,"volume":273.13544433159353,"volume_molar":41.12150230775001,"formula_full":"Rb3 Li1","formula_reduced":"Rb3Li","formula_anonymous":"AB3","energy":-4.27645016,"energy_per_atom":-1.06911254,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.27645016,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0076043,"is_theoretical":true,"updated_at":"2021-11-28T01:37:38.668000Z","spacegroup":225},{"id":"mp-1097452","created_at":"2022-09-04T14:42:49.357573Z","structure_string":"Ca1 Hg2 Pd1\n1.0\n-5.862039 6.318498 8.920192\n5.862039 -6.318498 8.920192\n5.862039 6.318498 -8.920192\nCa Hg Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.273588 0.273588 Hg\n0.000000 0.726412 0.726412 Hg\n0.000000 0.500000 0.500000 Pd\n","nsites":4,"nelements":3,"elements":["Ca","Hg","Pd"],"chemical_system":"Ca-Hg-Pd","density":0.6881413321286247,"density_atomic":0.0030266572447931787,"volume":1321.5900171323606,"volume_molar":198.97002775454717,"formula_full":"Ca1 Hg2 Pd1","formula_reduced":"CaHg2Pd","formula_anonymous":"ABC2","energy":-4.27797429,"energy_per_atom":-1.0694935725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.27797429,"band_gap":0.3058,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002072,"is_theoretical":true,"updated_at":"2021-11-28T01:35:51.026000Z","spacegroup":71}]}