{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy&page=12133","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy&page=12131","results":[{"id":"mp-1095934","created_at":"2022-09-04T14:42:06.517645Z","structure_string":"Ba2 Zn1 Au1\n1.0\n-6.346188 6.643510 9.407967\n6.346188 -6.643510 9.407967\n6.346188 6.643510 -9.407967\nBa Zn Au\n2 1 1\ndirect\n0.000000 0.255638 0.255638 Ba\n0.000000 0.744362 0.744362 Ba\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Au\n","nsites":4,"nelements":3,"elements":["Ba","Zn","Au"],"chemical_system":"Au-Ba-Zn","density":0.5620578178165135,"density_atomic":0.0025211209890151818,"volume":1586.59581092239,"volume_molar":238.86758256502443,"formula_full":"Ba2 Zn1 Au1","formula_reduced":"Ba2ZnAu","formula_anonymous":"ABC2","energy":-4.65063535,"energy_per_atom":-1.1626588375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.65063535,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.0352582,"is_theoretical":true,"updated_at":"2021-11-28T01:35:32.175000Z","spacegroup":71},{"id":"mp-1093904","created_at":"2022-09-04T14:39:11.015889Z","structure_string":"Rb1 Na2 Bi1\n1.0\n-6.919010 7.225098 10.180580\n6.919010 -7.225098 10.180580\n6.919010 7.225098 -10.180580\nRb Na Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.276311 0.276311 Na\n0.000000 0.723689 0.723689 Na\n0.000000 0.500000 0.500000 Bi\n","nsites":4,"nelements":3,"elements":["Rb","Na","Bi"],"chemical_system":"Bi-Na-Rb","density":0.27768589762394347,"density_atomic":0.001964896950183748,"volume":2035.730168763272,"volume_molar":306.4863406417745,"formula_full":"Rb1 Na2 Bi1","formula_reduced":"RbNa2Bi","formula_anonymous":"ABC2","energy":-4.64684941,"energy_per_atom":-1.1617123525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.64684941,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0022979,"is_theoretical":true,"updated_at":"2021-11-28T01:34:40.386000Z","spacegroup":71},{"id":"mp-63","created_at":"2022-09-04T14:39:15.625470Z","structure_string":"Pr1\n1.0\n-2.087273 2.087273 2.087273\n2.087273 -2.087273 2.087273\n2.087273 2.087273 -2.087273\nPr\n1\ndirect\n0.000000 0.000000 0.000000 Pr\n","nsites":1,"nelements":1,"elements":["Pr"],"chemical_system":"Pr","density":6.4325906061659195,"density_atomic":0.027491740934698652,"volume":36.374560722629674,"volume_molar":21.90527247548432,"formula_full":"Pr1","formula_reduced":"Pr","formula_anonymous":"A","energy":-4.64528909,"energy_per_atom":-4.64528909,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.64528909,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.5812416,"is_theoretical":false,"updated_at":"2021-11-28T01:34:43.023000Z","spacegroup":229},{"id":"mp-976292","created_at":"2022-09-04T14:44:41.939698Z","structure_string":"Na1 Cu1\n1.0\n1.418297 -2.456563 0.000000\n1.418297 2.456563 0.000000\n0.000000 0.000000 4.960376\nNa Cu\n1 1\ndirect\n0.666667 0.333333 0.000000 Na\n0.000000 0.000000 0.500000 Cu\n","nsites":2,"nelements":2,"elements":["Na","Cu"],"chemical_system":"Cu-Na","density":4.157239761567835,"density_atomic":0.05786158309837369,"volume":34.565248527674896,"volume_molar":10.40783960190205,"formula_full":"Na1 Cu1","formula_reduced":"NaCu","formula_anonymous":"AB","energy":-4.64179812,"energy_per_atom":-2.32089906,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.64179812,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:36:45.526000Z","spacegroup":187},{"id":"mp-1096496","created_at":"2022-09-04T14:48:28.252718Z","structure_string":"Na1 Zn2 Au1\n1.0\n-5.457809 5.861990 8.271718\n5.457809 -5.861990 8.271718\n5.457809 5.861990 -8.271718\nNa Zn Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.266889 0.266889 Zn\n0.000000 0.733111 0.733111 Zn\n0.000000 0.500000 0.500000 Au\n","nsites":4,"nelements":3,"elements":["Na","Zn","Au"],"chemical_system":"Au-Na-Zn","density":0.5502471398185703,"density_atomic":0.0037786866008138634,"volume":1058.5688686482943,"volume_molar":159.37126827884947,"formula_full":"Na1 Zn2 Au1","formula_reduced":"NaZn2Au","formula_anonymous":"ABC2","energy":-4.6406024,"energy_per_atom":-1.1601506,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.6406024,"band_gap":1.2132,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.11e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:39:17.812000Z","spacegroup":71},{"id":"mp-1096468","created_at":"2022-09-04T14:42:20.324862Z","structure_string":"Li1 Zn2 Cu1\n1.0\n-4.662553 5.057437 6.532385\n4.662553 -5.057437 6.532385\n4.662553 5.057437 -6.532385\nLi Zn Cu\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.741262 0.000000 0.741262 Zn\n0.258738 0.000000 0.258738 Zn\n0.500000 0.000000 0.500000 Cu\n","nsites":4,"nelements":3,"elements":["Li","Zn","Cu"],"chemical_system":"Cu-Li-Zn","density":0.5425223473906745,"density_atomic":0.0064919320286357845,"volume":616.1493962592459,"volume_molar":92.76345983655492,"formula_full":"Li1 Zn2 Cu1","formula_reduced":"LiZn2Cu","formula_anonymous":"ABC2","energy":-4.63993638,"energy_per_atom":-1.159984095,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.63993638,"band_gap":1.4406,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005932,"is_theoretical":true,"updated_at":"2021-11-28T01:35:49.350000Z","spacegroup":71},{"id":"mp-1095730","created_at":"2022-09-04T14:39:58.996071Z","structure_string":"Tl2 Cd1 In1\n1.0\n-6.038936 6.254932 8.846123\n6.038936 -6.254932 8.846123\n6.038936 6.254932 -8.846123\nTl Cd In\n2 1 1\ndirect\n0.000000 0.255709 0.255709 Tl\n0.000000 0.744291 0.744291 Tl\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 In\n","nsites":4,"nelements":3,"elements":["Tl","Cd","In"],"chemical_system":"Cd-In-Tl","density":0.7901457779772807,"density_atomic":0.0029927056712614262,"volume":1336.583158982687,"volume_molar":201.22729802098,"formula_full":"Tl2 Cd1 In1","formula_reduced":"Tl2CdIn","formula_anonymous":"ABC2","energy":-4.63551041,"energy_per_atom":-1.1588776025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.63551041,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.7206687,"is_theoretical":true,"updated_at":"2021-11-28T01:34:43.187000Z","spacegroup":71},{"id":"mp-632319","created_at":"2022-09-04T14:39:23.697847Z","structure_string":"Cs1 H1\n1.0\n3.858608 0.000000 0.000000\n0.000000 3.858608 0.000000\n0.000000 0.000000 3.858608\nCs H\n1 1\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 H\n","nsites":2,"nelements":2,"elements":["Cs","H"],"chemical_system":"Cs-H","density":3.870625262107667,"density_atomic":0.03481272460499825,"volume":57.45025770585188,"volume_molar":17.29867693014574,"formula_full":"Cs1 H1","formula_reduced":"CsH","formula_anonymous":"AB","energy":-4.62937664,"energy_per_atom":-2.31468832,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.45037664,"band_gap":2.5693,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002057,"is_theoretical":false,"updated_at":"2021-11-28T01:34:38.697000Z","spacegroup":221},{"id":"mp-4","created_at":"2022-09-04T14:45:56.396145Z","structure_string":"Nd1\n1.0\n-2.066667 2.066667 2.066667\n2.066667 -2.066667 2.066667\n2.066667 2.066667 -2.066667\nNd\n1\ndirect\n0.000000 0.000000 0.000000 Nd\n","nsites":1,"nelements":1,"elements":["Nd"],"chemical_system":"Nd","density":6.783742073945273,"density_atomic":0.028322298403343386,"volume":35.307868936299045,"volume_molar":21.262895667002432,"formula_full":"Nd1","formula_reduced":"Nd","formula_anonymous":"A","energy":-4.62818377,"energy_per_atom":-4.62818377,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.62818377,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.5567615,"is_theoretical":false,"updated_at":"2021-11-28T01:37:13.846000Z","spacegroup":229},{"id":"mp-1096231","created_at":"2022-09-04T14:43:07.690306Z","structure_string":"Li1 Mg2 Cu1\n1.0\n-5.444042 5.510813 7.695358\n5.444042 -5.510813 7.695358\n5.444042 5.510813 -7.695358\nLi Mg Cu\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.735261 0.000000 0.735261 Mg\n0.264739 0.000000 0.264739 Mg\n0.500000 0.000000 0.500000 Cu\n","nsites":4,"nelements":3,"elements":["Li","Mg","Cu"],"chemical_system":"Cu-Li-Mg","density":0.214152899119336,"density_atomic":0.00433145722597345,"volume":923.476740348288,"volume_molar":139.03267297408405,"formula_full":"Li1 Mg2 Cu1","formula_reduced":"LiMg2Cu","formula_anonymous":"ABC2","energy":-4.61967196,"energy_per_atom":-1.15491799,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.61967196,"band_gap":0.8963999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.4e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:05.595000Z","spacegroup":71},{"id":"mp-972364","created_at":"2022-09-04T14:40:43.046609Z","structure_string":"Yb3\n1.0\n9.508741 -1.939487 0.000000\n9.508741 1.939487 0.000000\n9.113146 0.000000 3.335916\nYb\n3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.222416 0.222416 0.222416 Yb\n0.777584 0.777584 0.777584 Yb\n","nsites":3,"nelements":1,"elements":["Yb"],"chemical_system":"Yb","density":7.005866629959364,"density_atomic":0.024381827904520453,"volume":123.04245652737924,"volume_molar":24.69929975546862,"formula_full":"Yb3","formula_reduced":"Yb","formula_anonymous":"A","energy":-4.61882484,"energy_per_atom":-1.5396082800000002,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.61882484,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0015147,"is_theoretical":true,"updated_at":"2021-11-28T01:35:06.708000Z","spacegroup":166},{"id":"mp-978533","created_at":"2022-09-04T14:48:08.522592Z","structure_string":"Si1 Hg3\n1.0\n-2.158251 2.158251 4.975199\n2.158251 -2.158251 4.975199\n2.158251 2.158251 -4.975199\nSi Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Si\n0.750000 0.250000 0.500000 Hg\n0.250000 0.750000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n","nsites":4,"nelements":2,"elements":["Si","Hg"],"chemical_system":"Hg-Si","density":11.28276841356198,"density_atomic":0.04315048106902803,"volume":92.69885064783358,"volume_molar":13.956138172286774,"formula_full":"Si1 Hg3","formula_reduced":"SiHg3","formula_anonymous":"AB3","energy":-4.61672328,"energy_per_atom":-1.15418082,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.68772328,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0019133,"is_theoretical":true,"updated_at":"2021-11-28T01:38:30.838000Z","spacegroup":139}]}