{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_uncorrected&page=19","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_uncorrected&page=17","results":[{"id":"mp-570752","created_at":"2022-09-04T14:39:08.729714Z","structure_string":"H2\n1.0\n2.565599 -4.443747 0.000000\n2.565599 4.443747 0.000000\n0.000000 0.000000 3.811892\nH\n2\ndirect\n0.333333 0.666667 0.250000 H\n0.666667 0.333333 0.750000 H\n","nsites":2,"nelements":1,"elements":["H"],"chemical_system":"H","density":0.03851279942818898,"density_atomic":0.02301024855629813,"volume":86.91779209193203,"volume_molar":26.17155892630148,"formula_full":"H2","formula_reduced":"H","formula_anonymous":"A","energy":-2.22412334,"energy_per_atom":-1.11206167,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.22412334,"band_gap":6.6359,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0,"is_theoretical":false,"updated_at":"2021-11-28T01:34:30.676000Z","spacegroup":194},{"id":"mp-1097519","created_at":"2022-09-04T14:41:58.677761Z","structure_string":"Na1 Sr2 Li1\n1.0\n-7.203664 7.390764 10.213560\n7.203664 -7.390764 10.213560\n7.203664 7.390764 -10.213560\nNa Sr Li\n1 2 1\ndirect\n0.500000 0.000000 0.500000 Na\n0.755947 0.000000 0.755947 Sr\n0.244053 0.000000 0.244053 Sr\n0.000000 0.000000 0.000000 Li\n","nsites":4,"nelements":3,"elements":["Na","Sr","Li"],"chemical_system":"Li-Na-Sr","density":0.15663350485159547,"density_atomic":0.0018389929863491018,"volume":2175.103455908813,"volume_molar":327.46947947613313,"formula_full":"Na1 Sr2 Li1","formula_reduced":"NaSr2Li","formula_anonymous":"ABC2","energy":-2.23381791,"energy_per_atom":-0.5584544775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.23381791,"band_gap":0.1171000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0029017,"is_theoretical":true,"updated_at":"2021-11-28T01:35:32.433000Z","spacegroup":71},{"id":"mp-23907","created_at":"2022-09-04T14:47:07.909560Z","structure_string":"H2\n1.0\n1.950199 -3.377844 0.000000\n1.950199 3.377844 0.000000\n0.000000 0.000000 6.355691\nH\n2\ndirect\n0.333333 0.666667 0.250000 H\n0.666667 0.333333 0.750000 H\n","nsites":2,"nelements":1,"elements":["H"],"chemical_system":"H","density":0.03997628985771613,"density_atomic":0.023884640421942032,"volume":83.73582204581426,"volume_molar":25.213445350710234,"formula_full":"H2","formula_reduced":"H","formula_anonymous":"A","energy":-2.23482046,"energy_per_atom":-1.11741023,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.23482046,"band_gap":7.4848,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0,"is_theoretical":false,"updated_at":"2021-11-28T01:37:54.863000Z","spacegroup":194},{"id":"mp-1095951","created_at":"2022-09-04T14:44:25.202673Z","structure_string":"Ba1 In1 Hg2\n1.0\n-6.260210 6.853610 9.740363\n6.260210 -6.853610 9.740363\n6.260210 6.853610 -9.740363\nBa In Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 In\n0.000000 0.230336 0.230336 Hg\n0.000000 0.769664 0.769664 Hg\n","nsites":4,"nelements":3,"elements":["Ba","In","Hg"],"chemical_system":"Ba-Hg-In","density":0.6489854369384127,"density_atomic":0.0023928560234393868,"volume":1671.642573066546,"volume_molar":251.6716718853831,"formula_full":"Ba1 In1 Hg2","formula_reduced":"BaInHg2","formula_anonymous":"ABC2","energy":-2.23820013,"energy_per_atom":-0.5595500325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.23820013,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.0602299,"is_theoretical":true,"updated_at":"2021-11-28T01:36:35.621000Z","spacegroup":71},{"id":"mp-1096317","created_at":"2022-09-04T14:44:19.771428Z","structure_string":"Mg2 Ga1 Hg1\n1.0\n-5.400412 5.714635 7.875972\n5.400412 -5.714635 7.875972\n5.400412 5.714635 -7.875972\nMg Ga Hg\n2 1 1\ndirect\n0.000000 0.241674 0.241674 Mg\n0.000000 0.758326 0.758326 Mg\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Hg\n","nsites":4,"nelements":3,"elements":["Mg","Ga","Hg"],"chemical_system":"Ga-Hg-Mg","density":0.5446975137580196,"density_atomic":0.004114153072191612,"volume":972.2535670918044,"volume_molar":146.37619588597371,"formula_full":"Mg2 Ga1 Hg1","formula_reduced":"Mg2GaHg","formula_anonymous":"ABC2","energy":-2.26507654,"energy_per_atom":-0.566269135,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.26507654,"band_gap":0.0684999999999997,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":1.0007182,"is_theoretical":true,"updated_at":"2021-11-28T01:36:30.899000Z","spacegroup":71},{"id":"mp-1096761","created_at":"2022-09-04T14:47:01.360339Z","structure_string":"K1 Rb2 Na1\n1.0\n-7.847777 8.597362 11.123070\n7.847777 -8.597362 11.123070\n7.847777 8.597362 -11.123070\nK Rb Na\n1 2 1\ndirect\n0.500000 0.000000 0.500000 K\n0.228982 0.000000 0.228982 Rb\n0.771018 0.000000 0.771018 Rb\n0.000000 0.000000 0.000000 Na\n","nsites":4,"nelements":3,"elements":["K","Rb","Na"],"chemical_system":"K-Na-Rb","density":0.1288999073123344,"density_atomic":0.001332488478020395,"volume":3001.902129722413,"volume_molar":451.9469293233038,"formula_full":"K1 Rb2 Na1","formula_reduced":"KRb2Na","formula_anonymous":"ABC2","energy":-2.3038454,"energy_per_atom":-0.57596135,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.3038454,"band_gap":0.0781,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0022486,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.010000Z","spacegroup":71},{"id":"mp-1095990","created_at":"2022-09-04T14:39:27.547239Z","structure_string":"Ba2 Na1 Li1\n1.0\n-7.487970 7.796809 10.629054\n7.487970 -7.796809 10.629054\n7.487970 7.796809 -10.629054\nBa Na Li\n2 1 1\ndirect\n0.756389 0.000000 0.756389 Ba\n0.243611 0.000000 0.243611 Ba\n0.500000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Li\n","nsites":4,"nelements":3,"elements":["Ba","Na","Li"],"chemical_system":"Ba-Li-Na","density":0.20376129132168608,"density_atomic":0.0016114780540120541,"volume":2482.1932821494565,"volume_molar":373.70293346576057,"formula_full":"Ba2 Na1 Li1","formula_reduced":"Ba2NaLi","formula_anonymous":"ABC2","energy":-2.31583272,"energy_per_atom":-0.57895818,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.31583272,"band_gap":0.1102,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0035238,"is_theoretical":true,"updated_at":"2021-11-28T01:34:32.090000Z","spacegroup":71},{"id":"mp-1408","created_at":"2022-09-04T14:47:55.747892Z","structure_string":"Mg1 Hg1\n1.0\n3.499559 0.000000 0.000000\n0.000000 3.499559 0.000000\n0.000000 0.000000 3.499559\nMg Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Hg\n","nsites":2,"nelements":2,"elements":["Mg","Hg"],"chemical_system":"Hg-Mg","density":8.713425817011279,"density_atomic":0.04666486741812279,"volume":42.85879529196474,"volume_molar":12.905084902611849,"formula_full":"Mg1 Hg1","formula_reduced":"MgHg","formula_anonymous":"AB","energy":-2.33452761,"energy_per_atom":-1.167263805,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.33452761,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000368,"is_theoretical":false,"updated_at":"2021-11-28T01:38:18.130000Z","spacegroup":221},{"id":"mp-151","created_at":"2022-09-04T14:41:22.605703Z","structure_string":"Tl1\n1.0\n0.000000 2.496600 2.496600\n2.496600 0.000000 2.496600\n2.496600 2.496600 0.000000\nTl\n1\ndirect\n0.000000 0.000000 0.000000 Tl\n","nsites":1,"nelements":1,"elements":["Tl"],"chemical_system":"Tl","density":10.904797627951591,"density_atomic":0.03213091592979114,"volume":31.122673321391996,"volume_molar":18.742511956891935,"formula_full":"Tl1","formula_reduced":"Tl","formula_anonymous":"A","energy":-2.35195119,"energy_per_atom":-2.35195119,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.35195119,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003465,"is_theoretical":false,"updated_at":"2021-11-28T01:35:18.439000Z","spacegroup":225},{"id":"mp-1096694","created_at":"2022-09-04T14:46:54.279690Z","structure_string":"Sr2 Tl1 Hg1\n1.0\n-6.738291 6.865182 9.662687\n6.738291 -6.865182 9.662687\n6.738291 6.865182 -9.662687\nSr Tl Hg\n2 1 1\ndirect\n0.000000 0.260697 0.260697 Sr\n0.000000 0.739303 0.739303 Sr\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n","nsites":4,"nelements":3,"elements":["Sr","Tl","Hg"],"chemical_system":"Hg-Sr-Tl","density":0.538861376831591,"density_atomic":0.0022371766124828097,"volume":1787.967913521506,"volume_molar":269.18486123975043,"formula_full":"Sr2 Tl1 Hg1","formula_reduced":"Sr2TlHg","formula_anonymous":"ABC2","energy":-2.36074623,"energy_per_atom":-0.5901865575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.36074623,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.2844207,"is_theoretical":true,"updated_at":"2021-11-28T01:37:44.577000Z","spacegroup":71},{"id":"mp-39","created_at":"2022-09-04T14:39:18.201038Z","structure_string":"Tl1\n1.0\n-1.981770 1.981770 1.981770\n1.981770 -1.981770 1.981770\n1.981770 1.981770 -1.981770\nTl\n1\ndirect\n0.000000 0.000000 0.000000 Tl\n","nsites":1,"nelements":1,"elements":["Tl"],"chemical_system":"Tl","density":10.90121145338983,"density_atomic":0.03212034928955766,"volume":31.132911755884933,"volume_molar":18.748677686259782,"formula_full":"Tl1","formula_reduced":"Tl","formula_anonymous":"A","energy":-2.36165298,"energy_per_atom":-2.36165298,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.36165298,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.26e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:40.186000Z","spacegroup":229},{"id":"mp-1095721","created_at":"2022-09-04T14:39:25.205319Z","structure_string":"K2 Na1 Cd1\n1.0\n-7.086283 7.486669 10.019123\n7.086283 -7.486669 10.019123\n7.086283 7.486669 -10.019123\nK Na Cd\n2 1 1\ndirect\n0.750570 0.000000 0.750570 K\n0.249430 0.000000 0.249430 K\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Cd\n","nsites":4,"nelements":3,"elements":["K","Na","Cd"],"chemical_system":"Cd-K-Na","density":0.16682002131743395,"density_atomic":0.0018813221411730693,"volume":2126.1643141593295,"volume_molar":320.1015194689086,"formula_full":"K2 Na1 Cd1","formula_reduced":"K2NaCd","formula_anonymous":"ABC2","energy":-2.36626961,"energy_per_atom":-0.5915674025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.36626961,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011621,"is_theoretical":true,"updated_at":"2021-11-28T01:34:35.647000Z","spacegroup":71}]}