{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-id&page=12166","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-id&page=12164","results":[{"id":"mp-1007906","created_at":"2022-09-04T14:45:27.812125Z","structure_string":"Er2 H2\n1.0\n1.803261 -3.123340 0.000000\n1.803261 3.123340 0.000000\n0.000000 0.000000 5.354500\nEr H\n2 2\ndirect\n0.333333 0.666667 0.250000 Er\n0.666667 0.333333 0.750000 Er\n0.000000 0.000000 0.500000 H\n0.000000 0.000000 0.000000 H\n","nsites":4,"nelements":2,"elements":["Er","H"],"chemical_system":"Er-H","density":9.265121487212706,"density_atomic":0.06631827472916228,"volume":60.315199940523655,"volume_molar":9.080665600234427,"formula_full":"Er2 H2","formula_reduced":"ErH","formula_anonymous":"AB","energy":-17.6630478,"energy_per_atom":-4.41576195,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.3050478,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.19e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:01.535000Z","spacegroup":194},{"id":"mp-1007900","created_at":"2022-09-04T14:47:56.879573Z","structure_string":"Eu1 Tl1 S2\n1.0\n7.434438 -2.095994 0.000000\n7.434438 2.095994 0.000000\n6.843514 0.000000 3.581953\nEu Tl S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Tl\n0.735942 0.735942 0.735942 S\n0.264058 0.264058 0.264058 S\n","nsites":4,"nelements":3,"elements":["Eu","Tl","S"],"chemical_system":"Eu-S-Tl","density":6.254658385118582,"density_atomic":0.035832072945593124,"volume":111.63183347146952,"volume_molar":16.806565361551723,"formula_full":"Eu1 Tl1 S2","formula_reduced":"EuTlS2","formula_anonymous":"ABC2","energy":-26.64725811,"energy_per_atom":-6.6618145275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-25.64125811,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0854932,"is_theoretical":false,"updated_at":"2021-11-28T01:38:20.636000Z","spacegroup":166},{"id":"mp-10079","created_at":"2022-09-04T14:46:24.811436Z","structure_string":"Tb3 Ag3 Ge3\n1.0\n3.691086 -6.393149 0.000000\n3.691086 6.393149 0.000000\n0.000000 0.000000 4.144721\nTb Ag Ge\n3 3 3\ndirect\n0.000000 0.603755 0.000000 Tb\n0.396245 0.396245 0.000000 Tb\n0.603755 0.000000 0.000000 Tb\n0.666667 0.333333 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.333333 0.666667 0.500000 Ag\n0.732533 0.732533 0.500000 Ge\n0.267467 0.000000 0.500000 Ge\n0.000000 0.267467 0.500000 Ge\n","nsites":9,"nelements":3,"elements":["Tb","Ag","Ge"],"chemical_system":"Ag-Ge-Tb","density":8.64431990825617,"density_atomic":0.04600957502283922,"volume":195.6114568659325,"volume_molar":13.088885861281266,"formula_full":"Tb3 Ag3 Ge3","formula_reduced":"TbAgGe","formula_anonymous":"ABC","energy":-40.03437214,"energy_per_atom":-4.448263571111111,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.03437214,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008113,"is_theoretical":false,"updated_at":"2021-11-28T01:37:31.905000Z","spacegroup":189},{"id":"mp-1007881","created_at":"2022-09-04T14:48:11.164328Z","structure_string":"Fe2 B2\n1.0\n1.445942 -3.753606 0.000000\n1.445942 3.753606 0.000000\n0.000000 0.000000 2.958077\nFe B\n2 2\ndirect\n0.858486 0.141514 0.750000 Fe\n0.141514 0.858486 0.250000 Fe\n0.569795 0.430205 0.750000 B\n0.430205 0.569795 0.250000 B\n","nsites":4,"nelements":2,"elements":["Fe","B"],"chemical_system":"B-Fe","density":6.894127542086433,"density_atomic":0.1245721510147169,"volume":32.109905523967726,"volume_molar":4.83425927139088,"formula_full":"Fe2 B2","formula_reduced":"FeB","formula_anonymous":"AB","energy":-31.79276175,"energy_per_atom":-7.9481904375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.79276175,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.5452654,"is_theoretical":false,"updated_at":"2021-11-28T01:38:32.018000Z","spacegroup":63},{"id":"mp-1007862","created_at":"2022-09-04T14:39:34.978557Z","structure_string":"Fe3 Ni1\n1.0\n-1.763706 1.763706 3.730619\n1.763706 -1.763706 3.730619\n1.763706 1.763706 -3.730619\nFe Ni\n3 1\ndirect\n0.500000 0.500000 0.000000 Fe\n0.750000 0.250000 0.500000 Fe\n0.250000 0.750000 0.500000 Fe\n0.000000 0.000000 0.000000 Ni\n","nsites":4,"nelements":2,"elements":["Fe","Ni"],"chemical_system":"Fe-Ni","density":8.092877146430878,"density_atomic":0.08617210809259343,"volume":46.4187320995087,"volume_molar":6.988503465099294,"formula_full":"Fe3 Ni1","formula_reduced":"Fe3Ni","formula_anonymous":"AB3","energy":-31.01914287,"energy_per_atom":-7.7547857175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.01914287,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.1735649,"is_theoretical":true,"updated_at":"2021-11-28T01:34:35.047000Z","spacegroup":139},{"id":"mp-1007857","created_at":"2022-09-04T14:39:23.375450Z","structure_string":"Ga4\n1.0\n2.058439 -2.331066 0.000000\n2.058439 2.331066 0.000000\n0.000000 0.000000 7.921188\nGa\n4\ndirect\n0.218668 0.781332 0.126871 Ga\n0.781332 0.218668 0.873129 Ga\n0.281332 0.718668 0.626871 Ga\n0.718668 0.281332 0.373129 Ga\n","nsites":4,"nelements":1,"elements":["Ga"],"chemical_system":"Ga","density":6.092173540777604,"density_atomic":0.05261954679171708,"volume":76.0173784056545,"volume_molar":11.444683824125894,"formula_full":"Ga4","formula_reduced":"Ga","formula_anonymous":"A","energy":-12.05081059,"energy_per_atom":-3.0127026475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.05081059,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000195,"is_theoretical":true,"updated_at":"2021-11-28T01:34:31.125000Z","spacegroup":64},{"id":"mp-1007855","created_at":"2022-09-04T14:39:19.575827Z","structure_string":"Fe1 Ni3\n1.0\n-1.766979 1.766979 3.539592\n1.766979 -1.766979 3.539592\n1.766979 1.766979 -3.539592\nFe Ni\n1 3\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Ni\n0.750000 0.250000 0.500000 Ni\n0.250000 0.750000 0.500000 Ni\n","nsites":4,"nelements":2,"elements":["Fe","Ni"],"chemical_system":"Fe-Ni","density":8.712064155440634,"density_atomic":0.09048654768407212,"volume":44.20546592147309,"volume_molar":6.655288453512353,"formula_full":"Fe1 Ni3","formula_reduced":"FeNi3","formula_anonymous":"AB3","energy":-26.10133858,"energy_per_atom":-6.525334645,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.10133858,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.4393089,"is_theoretical":true,"updated_at":"2021-11-28T01:34:28.950000Z","spacegroup":139},{"id":"mp-1007854","created_at":"2022-09-04T14:43:23.655383Z","structure_string":"Fe1 Ni3\n1.0\n0.000000 2.815224 2.815224\n2.815224 0.000000 2.815224\n2.815224 2.815224 0.000000\nFe Ni\n1 3\ndirect\n0.000000 0.000000 0.000000 Fe\n0.750000 0.750000 0.750000 Ni\n0.250000 0.250000 0.250000 Ni\n0.500000 0.500000 0.500000 Ni\n","nsites":4,"nelements":2,"elements":["Fe","Ni"],"chemical_system":"Fe-Ni","density":8.630345313790913,"density_atomic":0.08963778719176022,"volume":44.624037755895124,"volume_molar":6.718305916138874,"formula_full":"Fe1 Ni3","formula_reduced":"FeNi3","formula_anonymous":"AB3","energy":-25.73581376,"energy_per_atom":-6.43395344,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-25.73581376,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.3420855,"is_theoretical":true,"updated_at":"2021-11-28T01:36:17.281000Z","spacegroup":225},{"id":"mp-1007853","created_at":"2022-09-04T14:44:10.049101Z","structure_string":"Fe3 Ni1\n1.0\n0.000000 2.852709 2.852709\n2.852709 0.000000 2.852709\n2.852709 2.852709 0.000000\nFe Ni\n3 1\ndirect\n0.750000 0.750000 0.750000 Fe\n0.250000 0.250000 0.250000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Ni\n","nsites":4,"nelements":2,"elements":["Fe","Ni"],"chemical_system":"Fe-Ni","density":8.090843652601452,"density_atomic":0.08615045566331464,"volume":46.43039864620607,"volume_molar":6.99025990475916,"formula_full":"Fe3 Ni1","formula_reduced":"Fe3Ni","formula_anonymous":"AB3","energy":-31.08822882,"energy_per_atom":-7.772057205,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.08822882,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.5136151,"is_theoretical":true,"updated_at":"2021-11-28T01:36:31.735000Z","spacegroup":225},{"id":"mp-1007852","created_at":"2022-09-04T14:47:12.977443Z","structure_string":"Fe1 Co3\n1.0\n3.541812 0.000000 0.000000\n0.000000 3.541812 0.000000\n0.000000 0.000000 3.541812\nFe Co\n1 3\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n","nsites":4,"nelements":2,"elements":["Fe","Co"],"chemical_system":"Co-Fe","density":8.694918803786157,"density_atomic":0.09002921766052069,"volume":44.430020652662705,"volume_molar":6.6890959585010465,"formula_full":"Fe1 Co3","formula_reduced":"FeCo3","formula_anonymous":"AB3","energy":-29.75451909,"energy_per_atom":-7.4386297725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.75451909,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.3169867,"is_theoretical":true,"updated_at":"2021-11-28T01:37:55.898000Z","spacegroup":221},{"id":"mp-1007824","created_at":"2022-09-04T14:44:02.132042Z","structure_string":"Ga2 N2\n1.0\n1.602217 -2.775120 0.000000\n1.602217 2.775120 0.000000\n0.000000 0.000000 8.474509\nGa N\n2 2\ndirect\n0.333333 0.666667 0.750000 Ga\n0.666667 0.333333 0.250000 Ga\n0.000000 0.000000 0.250000 N\n0.000000 0.000000 0.750000 N\n","nsites":4,"nelements":2,"elements":["Ga","N"],"chemical_system":"Ga-N","density":3.6898693122383217,"density_atomic":0.05307773082187715,"volume":75.36117196538689,"volume_molar":11.34588963535314,"formula_full":"Ga2 N2","formula_reduced":"GaN","formula_anonymous":"AB","energy":-23.94222534,"energy_per_atom":-5.985556335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.22022534,"band_gap":0.9819,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002779,"is_theoretical":true,"updated_at":"2021-11-28T01:36:19.509000Z","spacegroup":194},{"id":"mp-1007823","created_at":"2022-09-04T14:41:36.139773Z","structure_string":"Ga1 B1 N2\n1.0\n2.837200 0.000000 0.000000\n0.000000 2.837200 0.000000\n0.000000 0.000000 4.249387\nGa B N\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 B\n0.500000 0.000000 0.801617 N\n0.000000 0.500000 0.198383 N\n","nsites":4,"nelements":3,"elements":["Ga","B","N"],"chemical_system":"B-Ga-N","density":5.269414177336419,"density_atomic":0.11693749978212585,"volume":34.20630685154608,"volume_molar":5.149879868494073,"formula_full":"Ga1 B1 N2","formula_reduced":"GaBN2","formula_anonymous":"ABC2","energy":-29.07941619,"energy_per_atom":-7.2698540475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.35741619,"band_gap":3.1499000000000006,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003231,"is_theoretical":true,"updated_at":"2021-11-28T01:35:31.058000Z","spacegroup":115}]}