{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_per_atom&page=21","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_per_atom&page=19","results":[{"id":"mp-1097383","created_at":"2022-09-04T14:47:12.686029Z","structure_string":"Sr1 Sn1 Hg2\n1.0\n-6.172144 6.561467 9.255419\n6.172144 -6.561467 9.255419\n6.172144 6.561467 -9.255419\nSr Sn Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Sn\n0.000000 0.266717 0.266717 Hg\n0.000000 0.733283 0.733283 Hg\n","nsites":4,"nelements":3,"elements":["Sr","Sn","Hg"],"chemical_system":"Hg-Sn-Sr","density":0.6728363621384672,"density_atomic":0.0026678838423363827,"volume":1499.3156510506187,"volume_molar":225.72724735744669,"formula_full":"Sr1 Sn1 Hg2","formula_reduced":"SrSnHg2","formula_anonymous":"ABC2","energy":-2.84186983,"energy_per_atom":-0.7104674575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.84186983,"band_gap":0.2035999999999997,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0018654,"is_theoretical":true,"updated_at":"2021-11-28T01:37:58.782000Z","spacegroup":71},{"id":"mp-1096106","created_at":"2022-09-04T14:47:29.210842Z","structure_string":"Sr2 Cd1 Ga1\n1.0\n-6.538480 6.622402 9.199620\n6.538480 -6.622402 9.199620\n6.538480 6.622402 -9.199620\nSr Cd Ga\n2 1 1\ndirect\n0.770713 0.000000 0.770713 Sr\n0.229287 0.000000 0.229287 Sr\n0.500000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Ga\n","nsites":4,"nelements":3,"elements":["Sr","Cd","Ga"],"chemical_system":"Cd-Ga-Sr","density":0.37243443669715726,"density_atomic":0.002510370203133605,"volume":1593.3904867923238,"volume_molar":239.8905449277074,"formula_full":"Sr2 Cd1 Ga1","formula_reduced":"Sr2CdGa","formula_anonymous":"ABC2","energy":-2.85206477,"energy_per_atom":-0.7130161925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.85206477,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.8558573,"is_theoretical":true,"updated_at":"2021-11-28T01:38:14.800000Z","spacegroup":71},{"id":"mp-1185041","created_at":"2022-09-04T14:46:25.564294Z","structure_string":"K1 Hg3\n1.0\n5.069356 0.000000 0.000000\n0.000000 5.069356 0.000000\n0.000000 0.000000 5.069356\nK Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n","nsites":4,"nelements":2,"elements":["K","Hg"],"chemical_system":"Hg-K","density":8.168823537486567,"density_atomic":0.030704470920684058,"volume":130.27418744106745,"volume_molar":19.61323735411831,"formula_full":"K1 Hg3","formula_reduced":"KHg3","formula_anonymous":"AB3","energy":-2.86136754,"energy_per_atom":-0.715341885,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.86136754,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0048224,"is_theoretical":true,"updated_at":"2021-11-28T01:37:31.026000Z","spacegroup":221},{"id":"mp-1184994","created_at":"2022-09-04T14:45:08.682830Z","structure_string":"K1 Hg3\n1.0\n0.000000 4.003506 4.003506\n4.003506 0.000000 4.003506\n4.003506 4.003506 0.000000\nK Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n0.500000 0.500000 0.500000 Hg\n","nsites":4,"nelements":2,"elements":["K","Hg"],"chemical_system":"Hg-K","density":8.292136465656185,"density_atomic":0.03116797196214411,"volume":128.33687109505573,"volume_molar":19.321567560810024,"formula_full":"K1 Hg3","formula_reduced":"KHg3","formula_anonymous":"AB3","energy":-2.86413494,"energy_per_atom":-0.716033735,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.86413494,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0240438,"is_theoretical":true,"updated_at":"2021-11-28T01:36:50.138000Z","spacegroup":225},{"id":"mp-1096332","created_at":"2022-09-04T14:42:26.549781Z","structure_string":"Tl2 Cd1 Hg1\n1.0\n-6.215821 6.300811 8.915840\n6.215821 -6.300811 8.915840\n6.215821 6.300811 -8.915840\nTl Cd Hg\n2 1 1\ndirect\n0.000000 0.248780 0.248780 Tl\n0.000000 0.751220 0.751220 Tl\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Hg\n","nsites":4,"nelements":3,"elements":["Tl","Cd","Hg"],"chemical_system":"Cd-Hg-Tl","density":0.8580829460102267,"density_atomic":0.002863800639660102,"volume":1396.745270814225,"volume_molar":210.28491566768957,"formula_full":"Tl2 Cd1 Hg1","formula_reduced":"Tl2CdHg","formula_anonymous":"ABC2","energy":-2.86817996,"energy_per_atom":-0.71704499,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.86817996,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.7621786,"is_theoretical":true,"updated_at":"2021-11-28T01:35:43.220000Z","spacegroup":71},{"id":"mp-1095906","created_at":"2022-09-04T14:39:20.910511Z","structure_string":"Sr1 La1 Zn2\n1.0\n-5.783109 6.413229 8.189541\n5.783109 -6.413229 8.189541\n5.783109 6.413229 -8.189541\nSr La Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.500000 La\n0.263199 0.000000 0.263199 Zn\n0.736801 0.000000 0.736801 Zn\n","nsites":4,"nelements":3,"elements":["Sr","La","Zn"],"chemical_system":"La-Sr-Zn","density":0.48840181507350566,"density_atomic":0.0032923220663061956,"volume":1214.9479666452498,"volume_molar":182.914691780337,"formula_full":"Sr1 La1 Zn2","formula_reduced":"SrLaZn2","formula_anonymous":"ABC2","energy":-2.86907069,"energy_per_atom":-0.7172676725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.86907069,"band_gap":0.0917999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.9999945,"is_theoretical":true,"updated_at":"2021-11-28T01:34:30.232000Z","spacegroup":71},{"id":"mp-1185042","created_at":"2022-09-04T14:41:07.168883Z","structure_string":"K1 Hg3\n1.0\n-2.542192 2.542192 4.894626\n2.542192 -2.542192 4.894626\n2.542192 2.542192 -4.894626\nK Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 K\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":["K","Hg"],"chemical_system":"Hg-K","density":8.410497537707924,"density_atomic":0.031612860271736834,"volume":126.53078416875049,"volume_molar":19.049654818434874,"formula_full":"K1 Hg3","formula_reduced":"KHg3","formula_anonymous":"AB3","energy":-2.88190352,"energy_per_atom":-0.72047588,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.88190352,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0089341,"is_theoretical":true,"updated_at":"2021-11-28T01:35:10.991000Z","spacegroup":139},{"id":"mp-1095838","created_at":"2022-09-04T14:47:15.977204Z","structure_string":"Na2 Tl1 Hg1\n1.0\n-6.369666 6.538755 9.236986\n6.369666 -6.538755 9.236986\n6.369666 6.538755 -9.236986\nNa Tl Hg\n2 1 1\ndirect\n0.000000 0.249656 0.249656 Na\n0.000000 0.750344 0.750344 Na\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n","nsites":4,"nelements":3,"elements":["Na","Tl","Hg"],"chemical_system":"Hg-Na-Tl","density":0.48660685236228846,"density_atomic":0.002599309471098079,"volume":1538.870243992224,"volume_molar":231.68233051741794,"formula_full":"Na2 Tl1 Hg1","formula_reduced":"Na2TlHg","formula_anonymous":"ABC2","energy":-2.88531033,"energy_per_atom":-0.7213275825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.88531033,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.9910343,"is_theoretical":true,"updated_at":"2021-11-28T01:38:04.865000Z","spacegroup":71},{"id":"mp-1096281","created_at":"2022-09-04T14:48:04.301733Z","structure_string":"Li1 Al1 Hg2\n1.0\n-5.474413 5.542937 7.827661\n5.474413 -5.542937 7.827661\n5.474413 5.542937 -7.827661\nLi Al Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Al\n0.000000 0.245915 0.245915 Hg\n0.000000 0.754085 0.754085 Hg\n","nsites":4,"nelements":3,"elements":["Li","Al","Hg"],"chemical_system":"Al-Hg-Li","density":0.7604509618157509,"density_atomic":0.004210081374794746,"volume":950.1004004215981,"volume_molar":143.0409586867807,"formula_full":"Li1 Al1 Hg2","formula_reduced":"LiAlHg2","formula_anonymous":"ABC2","energy":-2.89897413,"energy_per_atom":-0.7247435325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.89897413,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1163651,"is_theoretical":true,"updated_at":"2021-11-28T01:38:26.691000Z","spacegroup":71},{"id":"mp-1185099","created_at":"2022-09-04T14:47:13.947583Z","structure_string":"K2 Hg6\n1.0\n3.575262 -6.192535 0.000000\n3.575262 6.192535 0.000000\n0.000000 0.000000 5.768071\nK Hg\n2 6\ndirect\n0.666667 0.333333 0.250000 K\n0.333333 0.666667 0.750000 K\n0.312108 0.156054 0.750000 Hg\n0.843946 0.687892 0.750000 Hg\n0.156054 0.843946 0.250000 Hg\n0.687892 0.843946 0.250000 Hg\n0.156054 0.312108 0.250000 Hg\n0.843946 0.156054 0.750000 Hg\n","nsites":8,"nelements":2,"elements":["K","Hg"],"chemical_system":"Hg-K","density":8.333183536537417,"density_atomic":0.03132225716471563,"volume":255.40943482872495,"volume_molar":19.22639459963285,"formula_full":"K2 Hg6","formula_reduced":"KHg3","formula_anonymous":"AB3","energy":-5.80245667,"energy_per_atom":-0.72530708375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.80245667,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013511,"is_theoretical":true,"updated_at":"2021-11-28T01:38:04.767000Z","spacegroup":194},{"id":"mp-1226878","created_at":"2022-09-04T14:44:58.594015Z","structure_string":"Cd3 Hg1\n1.0\n1.568479 -2.716685 0.000000\n1.568479 2.716685 0.000000\n0.000000 0.000000 11.233184\nCd Hg\n3 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.333333 0.666667 0.755098 Cd\n0.333333 0.666667 0.244902 Cd\n0.000000 0.000000 0.500000 Hg\n","nsites":4,"nelements":2,"elements":["Cd","Hg"],"chemical_system":"Cd-Hg","density":9.329053995891355,"density_atomic":0.041783915035476814,"volume":95.73061778925653,"volume_molar":14.41258138421657,"formula_full":"Cd3 Hg1","formula_reduced":"Cd3Hg","formula_anonymous":"AB3","energy":-2.90980997,"energy_per_atom":-0.7274524925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.90980997,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007,"is_theoretical":true,"updated_at":"2021-11-28T01:36:54.288000Z","spacegroup":187},{"id":"mp-555777","created_at":"2022-09-04T14:46:23.218727Z","structure_string":"Zn4 Ga12 N12 O4\n1.0\n6.474090 0.000000 0.000000\n3.237274 5.606302 0.000000\n0.017620 0.003466 10.520684\nZn Ga N O\n4 12 12 4\ndirect\n0.338467 0.161622 0.254213 Zn\n0.678070 0.339339 0.004427 Zn\n0.167127 0.334215 0.505812 Zn\n0.838659 0.677892 0.756874 Zn\n0.826000 0.164576 0.247857 Ga\n0.335047 0.674464 0.249631 Ga\n0.835241 0.666725 0.249644 Ga\n0.669247 0.834549 0.999626 Ga\n0.160105 0.335595 0.999454 Ga\n0.659565 0.839154 0.499722 Ga\n0.324973 0.159515 0.747846 Ga\n0.661615 0.321382 0.497606 Ga\n0.336305 0.670717 0.749637 Ga\n0.834307 0.158658 0.748092 Ga\n0.160082 0.824471 0.998101 Ga\n0.179451 0.838284 0.497891 Ga\n0.677130 0.339526 0.313193 N\n0.160903 0.823430 0.313990 N\n0.837694 0.160869 0.063906 N\n0.826356 0.163203 0.563757 N\n0.336952 0.673584 0.563808 N\n0.337353 0.163090 0.563003 N\n0.176881 0.837576 0.814136 N\n0.666747 0.832689 0.313272 N\n0.837578 0.676804 0.063422 N\n0.334183 0.666651 0.063193 N\n0.167303 0.334330 0.812315 N\n0.660979 0.837306 0.814104 N\n0.832548 0.666587 0.553653 O\n0.161468 0.339668 0.302942 O\n0.660466 0.321842 0.804552 O\n0.321195 0.161687 0.054338 O\n","nsites":32,"nelements":4,"elements":["Zn","Ga","N","O"],"chemical_system":"Ga-N-O-Zn","density":5.785339796098253,"density_atomic":0.08380130484101266,"volume":381.8556293450348,"volume_molar":7.186213593481832,"formula_full":"Zn4 Ga12 N12 O4","formula_reduced":"ZnGa3N3O","formula_anonymous":"ABC3D3","energy":-23.30607723,"energy_per_atom":-0.7283149134375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.22607723,"band_gap":1.1263999999999998,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0014083,"is_theoretical":true,"updated_at":"2021-11-28T01:37:30.672000Z","spacegroup":1}]}