{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy&page=21","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy&page=19","results":[{"id":"mp-1096162","created_at":"2022-09-04T14:40:31.663083Z","structure_string":"Mg2 Cd1 Ga1\n1.0\n-5.520032 5.951147 8.421434\n5.520032 -5.951147 8.421434\n5.520032 5.951147 -8.421434\nMg Cd Ga\n2 1 1\ndirect\n0.000000 0.245625 0.245625 Mg\n0.000000 0.754375 0.754375 Mg\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ga\n","nsites":4,"nelements":3,"elements":["Mg","Cd","Ga"],"chemical_system":"Cd-Ga-Mg","density":0.34625113078598735,"density_atomic":0.003614695157617059,"volume":1106.5940074008754,"volume_molar":166.6016219185138,"formula_full":"Mg2 Cd1 Ga1","formula_reduced":"Mg2CdGa","formula_anonymous":"ABC2","energy":-2.57092258,"energy_per_atom":-0.642730645,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.57092258,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.1475153,"is_theoretical":true,"updated_at":"2021-11-28T01:35:02.535000Z","spacegroup":71},{"id":"mp-11464","created_at":"2022-09-04T14:41:50.398132Z","structure_string":"Mg1 Hg2\n1.0\n-1.957061 1.957061 4.481986\n1.957061 -1.957061 4.481986\n1.957061 1.957061 -4.481986\nMg Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666520 0.666520 0.000000 Hg\n0.333480 0.333480 0.000000 Hg\n","nsites":3,"nelements":2,"elements":["Mg","Hg"],"chemical_system":"Hg-Mg","density":10.28949687666519,"density_atomic":0.04368999980888058,"volume":68.66559883550765,"volume_molar":13.78379671857064,"formula_full":"Mg1 Hg2","formula_reduced":"MgHg2","formula_anonymous":"AB2","energy":-2.57212256,"energy_per_atom":-0.8573741866666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.57212256,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003275,"is_theoretical":false,"updated_at":"2021-11-28T01:35:26.388000Z","spacegroup":139},{"id":"mp-1097144","created_at":"2022-09-04T14:43:21.792511Z","structure_string":"Li1 Tl1 Hg2\n1.0\n-5.786293 5.840750 9.047056\n5.786293 -5.840750 9.047056\n5.786293 5.840750 -9.047056\nLi Tl Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Tl\n0.768348 0.000000 0.768348 Hg\n0.231652 0.000000 0.231652 Hg\n","nsites":4,"nelements":3,"elements":["Li","Tl","Hg"],"chemical_system":"Hg-Li-Tl","density":0.8316142656620669,"density_atomic":0.003270571760930784,"volume":1223.027743278021,"volume_molar":184.13113058513466,"formula_full":"Li1 Tl1 Hg2","formula_reduced":"LiTlHg2","formula_anonymous":"ABC2","energy":-2.59558751,"energy_per_atom":-0.6488968775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.59558751,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0924103,"is_theoretical":true,"updated_at":"2021-11-28T01:36:15.572000Z","spacegroup":71},{"id":"mp-1097089","created_at":"2022-09-04T14:44:19.043024Z","structure_string":"Cs1 Rb1 Na2\n1.0\n-7.672120 8.188441 10.868048\n7.672120 -8.188441 10.868048\n7.672120 8.188441 -10.868048\nCs Rb Na\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Cs\n0.000000 0.000000 0.000000 Rb\n0.753124 0.000000 0.753124 Na\n0.246876 0.000000 0.246876 Na\n","nsites":4,"nelements":3,"elements":["Cs","Rb","Na"],"chemical_system":"Cs-Na-Rb","density":0.1607329243172449,"density_atomic":0.0014646432044920594,"volume":2731.0405617777787,"volume_molar":411.1677671073815,"formula_full":"Cs1 Rb1 Na2","formula_reduced":"CsRbNa2","formula_anonymous":"ABC2","energy":-2.59798321,"energy_per_atom":-0.6494958025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.59798321,"band_gap":0.3255999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.45e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:33.616000Z","spacegroup":71},{"id":"mp-1095895","created_at":"2022-09-04T14:47:05.432711Z","structure_string":"Li2 Zn1 Hg1\n1.0\n-5.546521 5.616342 7.843443\n5.546521 -5.616342 7.843443\n5.546521 5.616342 -7.843443\nLi Zn Hg\n2 1 1\ndirect\n0.248743 0.000000 0.248743 Li\n0.751257 0.000000 0.751257 Li\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Hg\n","nsites":4,"nelements":3,"elements":["Li","Zn","Hg"],"chemical_system":"Hg-Li-Zn","density":0.47553399684329495,"density_atomic":0.004092786100014453,"volume":977.3293551758973,"volume_molar":147.1403736437322,"formula_full":"Li2 Zn1 Hg1","formula_reduced":"Li2ZnHg","formula_anonymous":"ABC2","energy":-2.59891284,"energy_per_atom":-0.64972821,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.59891284,"band_gap":0.6725999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0023307,"is_theoretical":true,"updated_at":"2021-11-28T01:37:47.579000Z","spacegroup":71},{"id":"mp-1096160","created_at":"2022-09-04T14:45:59.545149Z","structure_string":"Sr2 In1 Hg1\n1.0\n-6.607176 6.733677 8.811030\n6.607176 -6.733677 8.811030\n6.607176 6.733677 -8.811030\nSr In Hg\n2 1 1\ndirect\n0.759600 0.000000 0.759600 Sr\n0.240400 0.000000 0.240400 Sr\n0.000000 0.000000 0.000000 In\n0.500000 0.000000 0.500000 Hg\n","nsites":4,"nelements":3,"elements":["Sr","In","Hg"],"chemical_system":"Hg-In-Sr","density":0.5195942102289478,"density_atomic":0.0025509689008503815,"volume":1568.0316599181492,"volume_molar":236.07268430408863,"formula_full":"Sr2 In1 Hg1","formula_reduced":"Sr2InHg","formula_anonymous":"ABC2","energy":-2.59934461,"energy_per_atom":-0.6498361525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.59934461,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9998226,"is_theoretical":true,"updated_at":"2021-11-28T01:37:17.424000Z","spacegroup":71},{"id":"mp-10172","created_at":"2022-09-04T14:46:32.530236Z","structure_string":"Na2\n1.0\n1.879709 -3.255751 0.000000\n1.879709 3.255751 0.000000\n0.000000 0.000000 6.064977\nNa\n2\ndirect\n0.333333 0.666667 0.250000 Na\n0.666667 0.333333 0.750000 Na\n","nsites":2,"nelements":1,"elements":["Na"],"chemical_system":"Na","density":1.0285200176169875,"density_atomic":0.026941950775017327,"volume":74.23367434308267,"volume_molar":22.35228180130222,"formula_full":"Na2","formula_reduced":"Na","formula_anonymous":"A","energy":-2.62444601,"energy_per_atom":-1.312223005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.62444601,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000377,"is_theoretical":false,"updated_at":"2021-11-28T01:37:30.131000Z","spacegroup":194},{"id":"mp-1096153","created_at":"2022-09-04T14:39:28.283012Z","structure_string":"Ba2 Tl1 Hg1\n1.0\n-6.487499 7.224893 10.120803\n6.487499 -7.224893 10.120803\n6.487499 7.224893 -10.120803\nBa Tl Hg\n2 1 1\ndirect\n0.000000 0.251302 0.251302 Ba\n0.000000 0.748698 0.748698 Ba\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n","nsites":4,"nelements":3,"elements":["Ba","Tl","Hg"],"chemical_system":"Ba-Hg-Tl","density":0.5947524324369714,"density_atomic":0.00210802765970442,"volume":1897.508309051725,"volume_molar":285.67655325947675,"formula_full":"Ba2 Tl1 Hg1","formula_reduced":"Ba2TlHg","formula_anonymous":"ABC2","energy":-2.62978741,"energy_per_atom":-0.6574468525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.62978741,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0000537,"is_theoretical":true,"updated_at":"2021-11-28T01:34:32.754000Z","spacegroup":71},{"id":"mp-1038972","created_at":"2022-09-04T14:44:20.693325Z","structure_string":"Mg1 Cd1\n1.0\n4.798411 -1.667390 0.000000\n4.798411 1.667390 0.000000\n4.219013 0.000000 2.829288\nMg Cd\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Cd\n","nsites":2,"nelements":2,"elements":["Mg","Cd"],"chemical_system":"Cd-Mg","density":5.014488632215063,"density_atomic":0.04417618478167113,"volume":45.273262276596775,"volume_molar":13.632097904703192,"formula_full":"Mg1 Cd1","formula_reduced":"MgCd","formula_anonymous":"AB","energy":-2.6376217,"energy_per_atom":-1.31881085,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.6376217,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.6e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:36:25.324000Z","spacegroup":166},{"id":"mp-11466","created_at":"2022-09-04T14:43:23.361041Z","structure_string":"Na1 Hg2\n1.0\n2.601532 -4.505986 0.000000\n2.601532 4.505986 0.000000\n0.000000 0.000000 3.348606\nNa Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.666667 0.333333 0.500000 Hg\n0.333333 0.666667 0.500000 Hg\n","nsites":3,"nelements":2,"elements":["Na","Hg"],"chemical_system":"Hg-Na","density":8.971720872425093,"density_atomic":0.03821274160831104,"volume":78.50784512534212,"volume_molar":15.759509803636336,"formula_full":"Na1 Hg2","formula_reduced":"NaHg2","formula_anonymous":"AB2","energy":-2.63769575,"energy_per_atom":-0.8792319166666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.63769575,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0239627,"is_theoretical":false,"updated_at":"2021-11-28T01:36:13.791000Z","spacegroup":191},{"id":"mp-1038829","created_at":"2022-09-04T14:41:59.490194Z","structure_string":"Mg1 Cd1\n1.0\n1.613275 -2.794273 0.000000\n1.613275 2.794273 0.000000\n0.000000 0.000000 4.886352\nMg Cd\n1 1\ndirect\n0.000000 0.000000 0.500000 Mg\n0.666667 0.333333 0.000000 Cd\n","nsites":2,"nelements":2,"elements":["Mg","Cd"],"chemical_system":"Cd-Mg","density":5.153193589138298,"density_atomic":0.045398135065456674,"volume":44.05467310752584,"volume_molar":13.265172129465363,"formula_full":"Mg1 Cd1","formula_reduced":"MgCd","formula_anonymous":"AB","energy":-2.63779721,"energy_per_atom":-1.318898605,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.63779721,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.12e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:35.105000Z","spacegroup":187},{"id":"mp-1095971","created_at":"2022-09-04T14:39:48.368982Z","structure_string":"Sr2 Mg1 In1\n1.0\n-6.143645 6.902114 9.188986\n6.143645 -6.902114 9.188986\n6.143645 6.902114 -9.188986\nSr Mg In\n2 1 1\ndirect\n0.733437 0.000000 0.733437 Sr\n0.266563 0.000000 0.266563 Sr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 In\n","nsites":4,"nelements":3,"elements":["Sr","Mg","In"],"chemical_system":"In-Mg-Sr","density":0.33492278975094364,"density_atomic":0.0025663989519238376,"volume":1558.6041277804834,"volume_molar":234.65333616527744,"formula_full":"Sr2 Mg1 In1","formula_reduced":"Sr2MgIn","formula_anonymous":"ABC2","energy":-2.63903674,"energy_per_atom":-0.659759185,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.63903674,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.7247893,"is_theoretical":true,"updated_at":"2021-11-28T01:34:44.036000Z","spacegroup":71}]}