{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_uncorrected&page=27","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_uncorrected&page=25","results":[{"id":"mp-1096751","created_at":"2022-09-04T14:42:12.959266Z","structure_string":"Ca2 In1 Hg1\n1.0\n-9.307240 9.307240 6.385406\n9.307240 -9.307240 6.385406\n9.307240 9.307240 -6.385406\nCa In Hg\n2 1 1\ndirect\n0.242795 0.242795 0.000000 Ca\n0.757205 0.757205 0.000000 Ca\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 Hg\n","nsites":4,"nelements":3,"elements":["Ca","In","Hg"],"chemical_system":"Ca-Hg-In","density":0.29687629687682876,"density_atomic":0.0018078802405857432,"volume":2212.5359358449664,"volume_molar":333.1050710554179,"formula_full":"Ca2 In1 Hg1","formula_reduced":"Ca2InHg","formula_anonymous":"ABC2","energy":-2.9216728,"energy_per_atom":-0.7304182,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.9216728,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.5956939,"is_theoretical":true,"updated_at":"2021-11-28T01:35:46.837000Z","spacegroup":139},{"id":"mp-13141","created_at":"2022-09-04T14:48:07.767680Z","structure_string":"Hg1 Te1\n1.0\n3.810819 0.000000 0.000000\n0.000000 3.810819 0.000000\n0.000000 0.000000 3.810819\nHg Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Te\n","nsites":2,"nelements":2,"elements":["Hg","Te"],"chemical_system":"Hg-Te","density":9.847352305025527,"density_atomic":0.036138908385184035,"volume":55.34201472504758,"volume_molar":16.66387013081146,"formula_full":"Hg1 Te1","formula_reduced":"HgTe","formula_anonymous":"AB","energy":-3.3619103000000004,"energy_per_atom":-1.6809551500000002,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.9399103,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002275,"is_theoretical":true,"updated_at":"2021-11-28T01:38:26.313000Z","spacegroup":221},{"id":"mp-2012","created_at":"2022-09-04T14:42:43.560617Z","structure_string":"Li1 Hg1\n1.0\n3.344811 0.000000 0.000000\n0.000000 3.344811 0.000000\n0.000000 0.000000 3.344811\nLi Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Hg\n","nsites":2,"nelements":2,"elements":["Li","Hg"],"chemical_system":"Hg-Li","density":9.209102945277461,"density_atomic":0.05344600491392296,"volume":37.420944806278484,"volume_molar":11.26770984978,"formula_full":"Li1 Hg1","formula_reduced":"LiHg","formula_anonymous":"AB","energy":-2.96021147,"energy_per_atom":-1.480105735,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.96021147,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001743,"is_theoretical":false,"updated_at":"2021-11-28T01:35:47.928000Z","spacegroup":221},{"id":"mp-758433","created_at":"2022-09-04T14:46:03.033390Z","structure_string":"Ag1 Hg1\n1.0\n3.453205 0.000000 0.000000\n0.000000 3.453205 0.000000\n0.000000 0.000000 3.453205\nAg Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Hg\n","nsites":2,"nelements":2,"elements":["Ag","Hg"],"chemical_system":"Ag-Hg","density":12.438795681727514,"density_atomic":0.048569419458539216,"volume":41.17817388588059,"volume_molar":12.399037969026454,"formula_full":"Ag1 Hg1","formula_reduced":"AgHg","formula_anonymous":"AB","energy":-2.96551846,"energy_per_atom":-1.48275923,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.96551846,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:37:19.330000Z","spacegroup":221},{"id":"mp-1095958","created_at":"2022-09-04T14:47:06.586669Z","structure_string":"Ca1 Sn1 Hg2\n1.0\n-5.966625 6.393292 9.022291\n5.966625 -6.393292 9.022291\n5.966625 6.393292 -9.022291\nCa Sn Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Sn\n0.000000 0.259646 0.259646 Hg\n0.000000 0.740354 0.740354 Hg\n","nsites":4,"nelements":3,"elements":["Ca","Sn","Hg"],"chemical_system":"Ca-Hg-Sn","density":0.6754328847773211,"density_atomic":0.002905560251634056,"volume":1376.6708151209195,"volume_molar":207.26263572105285,"formula_full":"Ca1 Sn1 Hg2","formula_reduced":"CaSnHg2","formula_anonymous":"ABC2","energy":-2.96923094,"energy_per_atom":-0.742307735,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.96923094,"band_gap":0.0926,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":1.51e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:56.943000Z","spacegroup":71},{"id":"mp-1186137","created_at":"2022-09-04T14:43:07.005238Z","structure_string":"Na1 Hg3\n1.0\n4.751194 0.000000 0.000000\n0.000000 4.751194 0.000000\n0.000000 0.000000 4.751194\nNa Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\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":["Na","Hg"],"chemical_system":"Hg-Na","density":9.672836831635895,"density_atomic":0.03729509346345096,"volume":107.2527141920152,"volume_molar":16.147273543909133,"formula_full":"Na1 Hg3","formula_reduced":"NaHg3","formula_anonymous":"AB3","energy":-2.97055665,"energy_per_atom":-0.7426391625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.97055665,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.00094,"is_theoretical":true,"updated_at":"2021-11-28T01:35:55.803000Z","spacegroup":221},{"id":"mp-1186142","created_at":"2022-09-04T14:40:20.953692Z","structure_string":"Na1 Hg3\n1.0\n0.000000 3.740925 3.740925\n3.740925 0.000000 3.740925\n3.740925 3.740925 0.000000\nNa Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\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":["Na","Hg"],"chemical_system":"Hg-Na","density":9.9082088819418,"density_atomic":0.03820260619912875,"volume":104.7048983818079,"volume_molar":15.763690907918585,"formula_full":"Na1 Hg3","formula_reduced":"NaHg3","formula_anonymous":"AB3","energy":-2.98010689,"energy_per_atom":-0.7450267225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.98010689,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0037509,"is_theoretical":true,"updated_at":"2021-11-28T01:34:49.798000Z","spacegroup":225},{"id":"mp-1094862","created_at":"2022-09-04T14:42:43.149707Z","structure_string":"Mg1 Zn1\n1.0\n3.055511 0.000000 0.000000\n0.000000 3.055511 0.000000\n0.000000 0.000000 3.832878\nMg Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Zn\n","nsites":2,"nelements":2,"elements":["Mg","Zn"],"chemical_system":"Mg-Zn","density":4.163097853250339,"density_atomic":0.05589041014466256,"volume":35.78431424681532,"volume_molar":10.774908869719763,"formula_full":"Mg1 Zn1","formula_reduced":"MgZn","formula_anonymous":"AB","energy":-2.9962085,"energy_per_atom":-1.49810425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.9962085,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001696,"is_theoretical":true,"updated_at":"2021-11-28T01:35:56.616000Z","spacegroup":123},{"id":"mp-1063988","created_at":"2022-09-04T14:40:05.531640Z","structure_string":"S1\n1.0\n-1.580627 1.580627 1.580627\n1.580627 -1.580627 1.580627\n1.580627 1.580627 -1.580627\nS\n1\ndirect\n0.000000 0.000000 0.000000 S\n","nsites":1,"nelements":1,"elements":["S"],"chemical_system":"S","density":3.3707936084368693,"density_atomic":0.06330701259918974,"volume":15.796038368311807,"volume_molar":9.512596650433442,"formula_full":"S1","formula_reduced":"S","formula_anonymous":"A","energy":-2.99896608,"energy_per_atom":-2.99896608,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.99896608,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0038525,"is_theoretical":true,"updated_at":"2021-11-28T01:34:48.605000Z","spacegroup":229},{"id":"mp-140","created_at":"2022-09-04T14:40:30.112435Z","structure_string":"Ga1\n1.0\n-1.398783 1.398783 2.431817\n1.398783 -1.398783 2.431817\n1.398783 1.398783 -2.431817\nGa\n1\ndirect\n0.000000 0.000000 0.000000 Ga\n","nsites":1,"nelements":1,"elements":["Ga"],"chemical_system":"Ga","density":6.083220943531009,"density_atomic":0.052542221087422625,"volume":19.032313048512837,"volume_molar":11.461526816652903,"formula_full":"Ga1","formula_reduced":"Ga","formula_anonymous":"A","energy":-3.00392285,"energy_per_atom":-3.00392285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.00392285,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001276,"is_theoretical":false,"updated_at":"2021-11-28T01:34:57.202000Z","spacegroup":139},{"id":"mp-1185553","created_at":"2022-09-04T14:40:28.956689Z","structure_string":"Cs3 Hg1\n1.0\n6.783537 0.000000 0.000000\n0.000000 6.783537 0.000000\n0.000000 0.000000 6.783537\nCs Hg\n3 1\ndirect\n0.000000 0.500000 0.500000 Cs\n0.500000 0.000000 0.500000 Cs\n0.500000 0.500000 0.000000 Cs\n0.000000 0.000000 0.000000 Hg\n","nsites":4,"nelements":2,"elements":["Cs","Hg"],"chemical_system":"Cs-Hg","density":3.188081289407898,"density_atomic":0.012814197015045237,"volume":312.1537771975546,"volume_molar":46.9958496262338,"formula_full":"Cs3 Hg1","formula_reduced":"Cs3Hg","formula_anonymous":"AB3","energy":-3.00482285,"energy_per_atom":-0.7512057125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.00482285,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0020198,"is_theoretical":true,"updated_at":"2021-11-28T01:35:02.356000Z","spacegroup":221},{"id":"mp-1096977","created_at":"2022-09-04T14:44:29.481562Z","structure_string":"H1\n1.0\n2.612964 0.000000 0.000000\n0.000000 2.612964 0.000000\n0.000000 0.000000 0.985799\nH\n1\ndirect\n0.000000 0.000000 0.500000 H\n","nsites":1,"nelements":1,"elements":["H"],"chemical_system":"H","density":0.24867295324987948,"density_atomic":0.14857466993999568,"volume":6.730622389427931,"volume_molar":4.053275543154253,"formula_full":"H1","formula_reduced":"H","formula_anonymous":"A","energy":-3.00810299,"energy_per_atom":-3.00810299,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.00810299,"band_gap":0.2567,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001065,"is_theoretical":false,"updated_at":"2021-11-28T01:36:40.914000Z","spacegroup":123}]}