{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=10182","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=10180","results":[{"id":"mp-5431","created_at":"2022-09-04T14:42:15.878604Z","structure_string":"Ba2 Te2 O6\n1.0\n6.074566 0.000000 0.000000\n0.000000 4.654753 0.000000\n0.000000 2.107996 6.943977\nBa Te O\n2 2 6\ndirect\n0.250000 0.339869 0.313598 Ba\n0.750000 0.660131 0.686402 Ba\n0.250000 0.069488 0.852233 Te\n0.750000 0.930512 0.147767 Te\n0.514141 0.826455 0.326094 O\n0.014141 0.173545 0.673906 O\n0.485859 0.173545 0.673906 O\n0.985859 0.826455 0.326094 O\n0.750000 0.352959 0.102061 O\n0.250000 0.647041 0.897939 O\n","nsites":10,"nelements":3,"elements":["Ba","Te","O"],"chemical_system":"Ba-O-Te","density":5.292970364649361,"density_atomic":0.050930721759452895,"volume":196.34514600500376,"volume_molar":11.824181067848842,"formula_full":"Ba2 Te2 O6","formula_reduced":"BaTeO3","formula_anonymous":"ABC3","energy":-63.3828327,"energy_per_atom":-6.33828327,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-59.2608327,"band_gap":2.7149,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007776,"is_theoretical":false,"updated_at":"2021-11-28T01:35:39.447000Z","spacegroup":11},{"id":"mp-989621","created_at":"2022-09-04T14:42:12.259647Z","structure_string":"La2 Os2 N6\n1.0\n3.665257 0.000000 0.000000\n0.000000 5.700173 0.000000\n0.000000 0.000000 6.747489\nLa Os N\n2 2 6\ndirect\n0.000000 0.250000 0.207788 La\n0.000000 0.750000 0.792212 La\n0.500000 0.250000 0.805246 Os\n0.500000 0.750000 0.194754 Os\n0.500000 0.507349 0.405753 N\n0.500000 0.000000 0.000000 N\n0.500000 0.992651 0.405753 N\n0.500000 0.492651 0.594247 N\n0.500000 0.500000 0.000000 N\n0.500000 0.007349 0.594247 N\n","nsites":10,"nelements":3,"elements":["La","Os","N"],"chemical_system":"La-N-Os","density":8.74380415861319,"density_atomic":0.07093577962367494,"volume":140.97258186279922,"volume_molar":8.489567312783999,"formula_full":"La2 Os2 N6","formula_reduced":"LaOsN3","formula_anonymous":"ABC3","energy":-88.48004700000001,"energy_per_atom":-8.8480047,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-86.31404700000002,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003818,"is_theoretical":true,"updated_at":"2021-11-28T01:35:41.855000Z","spacegroup":51},{"id":"mp-1096790","created_at":"2022-09-04T14:42:11.838004Z","structure_string":"Cu2 Pb2 Br6\n1.0\n-4.035290 4.035290 5.603684\n4.035290 -4.035290 5.603684\n4.035290 4.035290 -5.603684\nCu Pb Br\n2 2 6\ndirect\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.500000 0.500000 0.000000 Pb\n0.000000 0.000000 0.000000 Pb\n0.750000 0.750000 0.000000 Br\n0.250000 0.250000 0.000000 Br\n0.149542 0.649542 0.799083 Br\n0.850458 0.350458 0.200917 Br\n0.649542 0.850458 0.500000 Br\n0.350458 0.149542 0.500000 Br\n","nsites":10,"nelements":3,"elements":["Cu","Pb","Br"],"chemical_system":"Br-Cu-Pb","density":4.644681914581931,"density_atomic":0.027397874344906772,"volume":364.9918192233401,"volume_molar":21.980321116114283,"formula_full":"Cu2 Pb2 Br6","formula_reduced":"CuPbBr3","formula_anonymous":"ABC3","energy":-30.61815378,"energy_per_atom":-3.061815378,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.41415378,"band_gap":0.0,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0004687,"is_theoretical":true,"updated_at":"2021-11-28T01:35:41.188000Z","spacegroup":140},{"id":"mp-25296","created_at":"2022-09-04T14:42:12.114242Z","structure_string":"Mn3 B3 O9\n1.0\n4.201268 -7.276809 0.000000\n4.201268 7.276809 0.000000\n0.000000 0.000000 3.073034\nMn B O\n3 3 9\ndirect\n0.375054 0.367630 0.000000 Mn\n0.992576 0.624946 0.000000 Mn\n0.632370 0.007424 0.000000 Mn\n0.333333 0.666667 0.500000 B\n0.000000 0.000000 0.000000 B\n0.666667 0.333333 0.500000 B\n0.148828 0.612384 0.500000 O\n0.716843 0.198856 0.500000 O\n0.801144 0.517987 0.500000 O\n0.073008 0.886944 0.000000 O\n0.813936 0.926992 0.000000 O\n0.113056 0.186064 0.000000 O\n0.482013 0.283157 0.500000 O\n0.387616 0.536445 0.500000 O\n0.463555 0.851172 0.500000 O\n","nsites":15,"nelements":3,"elements":["Mn","B","O"],"chemical_system":"B-Mn-O","density":3.015730413818371,"density_atomic":0.07983117768040618,"volume":187.8965140668545,"volume_molar":7.5435950401594525,"formula_full":"Mn3 B3 O9","formula_reduced":"MnBO3","formula_anonymous":"ABC3","energy":-125.10547562,"energy_per_atom":-8.340365041333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-113.91847562,"band_gap":0.5716,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.0005701,"is_theoretical":true,"updated_at":"2021-11-28T01:35:37.946000Z","spacegroup":174},{"id":"mp-1078348","created_at":"2022-09-04T14:42:11.713285Z","structure_string":"Ce2 Ga6 Pd2\n1.0\n3.201848 -5.150692 0.000000\n3.201848 5.150692 0.000000\n0.000000 0.000000 5.915802\nCe Ga Pd\n2 6 2\ndirect\n0.233659 0.766341 0.750000 Ce\n0.766341 0.233659 0.250000 Ce\n0.665499 0.334501 0.750000 Ga\n0.334501 0.665499 0.250000 Ga\n0.716066 0.716066 0.000000 Ga\n0.716066 0.716066 0.500000 Ga\n0.283934 0.283934 0.000000 Ga\n0.283934 0.283934 0.500000 Ga\n0.905647 0.094353 0.750000 Pd\n0.094353 0.905647 0.250000 Pd\n","nsites":10,"nelements":3,"elements":["Ce","Ga","Pd"],"chemical_system":"Ce-Ga-Pd","density":7.756270907086534,"density_atomic":0.05124955310048138,"volume":195.12365269593093,"volume_molar":11.750621021402495,"formula_full":"Ce2 Ga6 Pd2","formula_reduced":"CeGa3Pd","formula_anonymous":"ABC3","energy":-47.24782547,"energy_per_atom":-4.724782547,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-47.24782547,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.2337567,"is_theoretical":false,"updated_at":"2021-11-28T01:35:47.863000Z","spacegroup":63},{"id":"mp-1384488","created_at":"2022-09-04T14:42:15.989616Z","structure_string":"Al2 V2 O6\n1.0\n1.588847 -2.751963 0.000000\n1.588847 2.751963 0.000000\n0.000000 0.000000 12.057972\nAl V O\n2 2 6\ndirect\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.666667 0.333333 0.750000 V\n0.333333 0.666667 0.250000 V\n0.333333 0.666667 0.423986 O\n0.666667 0.333333 0.923986 O\n0.666667 0.333333 0.576014 O\n0.333333 0.666667 0.076014 O\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n","nsites":10,"nelements":3,"elements":["Al","V","O"],"chemical_system":"Al-O-V","density":3.9659674407858154,"density_atomic":0.0948355275558845,"volume":105.4457148889399,"volume_molar":6.350089376000239,"formula_full":"Al2 V2 O6","formula_reduced":"AlVO3","formula_anonymous":"ABC3","energy":-81.87619319999999,"energy_per_atom":-8.18761932,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-74.3541932,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0006632,"is_theoretical":true,"updated_at":"2021-11-28T01:35:44.604000Z","spacegroup":194},{"id":"mp-556003","created_at":"2022-09-04T14:42:11.254604Z","structure_string":"Ca2 Ti2 O6\n1.0\n-2.737986 2.738273 3.835541\n2.737986 -2.738273 3.835541\n2.737986 2.738273 -3.835541\nCa Ti O\n2 2 6\ndirect\n0.762554 0.750000 0.012554 Ca\n0.237446 0.250000 0.987446 Ca\n0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.203127 0.703127 0.000000 O\n0.663667 0.250000 0.413667 O\n0.203127 0.203127 0.500000 O\n0.796873 0.296873 0.000000 O\n0.796873 0.796873 0.500000 O\n0.336333 0.750000 0.586333 O\n","nsites":10,"nelements":3,"elements":["Ca","Ti","O"],"chemical_system":"Ca-O-Ti","density":3.925021080831613,"density_atomic":0.08693715258616747,"volume":115.02562141184154,"volume_molar":6.927004831485797,"formula_full":"Ca2 Ti2 O6","formula_reduced":"CaTiO3","formula_anonymous":"ABC3","energy":-84.94010028,"energy_per_atom":-8.494010028,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.81810028,"band_gap":2.1586,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:35:38.278000Z","spacegroup":74},{"id":"mp-1070301","created_at":"2022-09-04T14:42:11.196974Z","structure_string":"U1 Ga3 Ni1\n1.0\n-2.081972 2.081972 5.115115\n2.081972 -2.081972 5.115115\n2.081972 2.081972 -5.115115\nU Ga Ni\n1 3 1\ndirect\n0.994295 0.994295 0.000000 U\n0.409632 0.409632 0.000000 Ga\n0.246104 0.746104 0.500000 Ga\n0.746104 0.246104 0.500000 Ga\n0.633866 0.633866 0.000000 Ni\n","nsites":5,"nelements":3,"elements":["U","Ga","Ni"],"chemical_system":"Ga-Ni-U","density":9.471988331584138,"density_atomic":0.05637737385683656,"volume":88.68806150312868,"volume_molar":10.681839802067561,"formula_full":"U1 Ga3 Ni1","formula_reduced":"UGa3Ni","formula_anonymous":"ABC3","energy":-27.52749194,"energy_per_atom":-5.505498388,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.52749194,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.1925098,"is_theoretical":true,"updated_at":"2021-11-28T01:35:41.371000Z","spacegroup":107},{"id":"mp-1245819","created_at":"2022-09-04T14:42:11.335985Z","structure_string":"Re4 Mo4 N12\n1.0\n9.297759 -0.531992 0.550642\n-2.716374 4.863601 -0.607597\n-0.722444 -2.637082 8.110876\nRe Mo N\n4 4 12\ndirect\n0.351390 0.345143 0.046776 Re\n0.648610 0.654857 0.953224 Re\n0.656259 0.634301 0.567723 Re\n0.343741 0.365699 0.432277 Re\n0.070482 0.331070 0.565275 Mo\n0.929518 0.668930 0.434725 Mo\n0.740075 0.045358 0.302546 Mo\n0.259925 0.954642 0.697453 Mo\n0.817927 0.921542 0.462914 N\n0.182073 0.078458 0.537086 N\n0.911615 0.386614 0.242288 N\n0.088385 0.613386 0.757712 N\n0.707181 0.331401 0.478046 N\n0.292819 0.668599 0.521954 N\n0.707956 0.842959 0.795325 N\n0.292044 0.157041 0.204675 N\n0.827343 0.783441 0.104687 N\n0.172657 0.216559 0.895313 N\n0.472569 0.207674 0.890496 N\n0.527431 0.792326 0.109504 N\n","nsites":20,"nelements":3,"elements":["Re","Mo","N"],"chemical_system":"Mo-N-Re","density":6.226527210170413,"density_atomic":0.05783594837134074,"volume":345.80568942326767,"volume_molar":10.412452686578805,"formula_full":"Re4 Mo4 N12","formula_reduced":"ReMoN3","formula_anonymous":"ABC3","energy":-191.60900803,"energy_per_atom":-9.5804504015,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-187.27700803,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0027066,"is_theoretical":true,"updated_at":"2021-11-28T01:35:38.798000Z","spacegroup":2},{"id":"mp-1433326","created_at":"2022-09-04T14:42:16.415736Z","structure_string":"Y1 Ni1 O3\n1.0\n3.756882 0.000000 0.000000\n0.000000 3.756882 0.000000\n0.000000 0.000000 3.756882\nY Ni O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Y","Ni","O"],"chemical_system":"Ni-O-Y","density":6.125331853295538,"density_atomic":0.09429471252054915,"volume":53.025242522589764,"volume_molar":6.386509486083461,"formula_full":"Y1 Ni1 O3","formula_reduced":"YNiO3","formula_anonymous":"ABC3","energy":-38.41185051,"energy_per_atom":-7.682370102,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.80985051,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0014157,"is_theoretical":true,"updated_at":"2021-11-28T01:35:40.135000Z","spacegroup":221},{"id":"mp-1100344","created_at":"2022-09-04T14:42:11.130638Z","structure_string":"Ca8 Sn8 S24\n1.0\n3.402882 -5.893965 0.000000\n3.402882 5.893965 0.000000\n0.000000 0.000000 25.424554\nCa Sn S\n8 8 24\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.250000 Ca\n0.000000 0.000000 0.750000 Ca\n0.333333 0.666667 0.413736 Ca\n0.666667 0.333333 0.586264 Ca\n0.666667 0.333333 0.913736 Ca\n0.333333 0.666667 0.086264 Ca\n0.333333 0.666667 0.933594 Sn\n0.666667 0.333333 0.066406 Sn\n0.666667 0.333333 0.433594 Sn\n0.333333 0.666667 0.566406 Sn\n0.333333 0.666667 0.811391 Sn\n0.666667 0.333333 0.188609 Sn\n0.666667 0.333333 0.311391 Sn\n0.333333 0.666667 0.688609 Sn\n0.500000 0.500000 0.500000 S\n0.500000 0.000000 0.500000 S\n0.000000 0.500000 0.500000 S\n0.500000 0.500000 0.000000 S\n0.500000 0.000000 0.000000 S\n0.000000 0.500000 0.000000 S\n0.497754 0.502246 0.250000 S\n0.497754 0.995507 0.250000 S\n0.004493 0.502246 0.250000 S\n0.502246 0.497754 0.750000 S\n0.502246 0.004493 0.750000 S\n0.995507 0.497754 0.750000 S\n0.838363 0.161637 0.377270 S\n0.838363 0.676726 0.377270 S\n0.323274 0.161637 0.377270 S\n0.161637 0.838363 0.622730 S\n0.161637 0.323274 0.622730 S\n0.676726 0.838363 0.622730 S\n0.161637 0.838363 0.877270 S\n0.161637 0.323274 0.877270 S\n0.676726 0.838363 0.877270 S\n0.838363 0.161637 0.122730 S\n0.838363 0.676726 0.122730 S\n0.323274 0.161637 0.122730 S\n","nsites":40,"nelements":3,"elements":["Ca","Sn","S"],"chemical_system":"Ca-S-Sn","density":3.3213338366731877,"density_atomic":0.03922132040627981,"volume":1019.8534772836334,"volume_molar":15.354252986943756,"formula_full":"Ca8 Sn8 S24","formula_reduced":"CaSnS3","formula_anonymous":"ABC3","energy":-187.84499868,"energy_per_atom":-4.696124967,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-175.77299868,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0152094,"is_theoretical":true,"updated_at":"2021-11-28T01:35:40.746000Z","spacegroup":194},{"id":"mp-1068387","created_at":"2022-09-04T14:42:16.626923Z","structure_string":"La1 Ge3 Ru1\n1.0\n-2.227025 2.227025 5.099193\n2.227025 -2.227025 5.099193\n2.227025 2.227025 -5.099193\nLa Ge Ru\n1 3 1\ndirect\n0.999927 0.999927 0.000000 La\n0.423567 0.423567 0.000000 Ge\n0.259737 0.759737 0.500000 Ge\n0.759737 0.259737 0.500000 Ge\n0.658032 0.658032 0.000000 Ru\n","nsites":5,"nelements":3,"elements":["La","Ge","Ru"],"chemical_system":"Ge-La-Ru","density":7.5162950272213545,"density_atomic":0.04942633158530413,"volume":101.16065343369816,"volume_molar":12.184073887026152,"formula_full":"La1 Ge3 Ru1","formula_reduced":"LaGe3Ru","formula_anonymous":"ABC3","energy":-31.24990303,"energy_per_atom":-6.249980605999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.24990303,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002556,"is_theoretical":false,"updated_at":"2021-11-28T01:35:41.915000Z","spacegroup":107}]}