{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_reduced&page=12138","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_reduced&page=12136","results":[{"id":"mp-1215402","created_at":"2022-09-04T14:42:52.247873Z","structure_string":"Zr1 Ga6 Fe3 Co3\n1.0\n4.978372 0.000000 0.000000\n2.431865 5.985990 0.000000\n2.442968 0.200364 5.998421\nZr Ga Fe Co\n1 6 3 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.675205 0.828885 0.823902 Ga\n0.324795 0.171115 0.176098 Ga\n0.003127 0.666529 0.337470 Ga\n0.996873 0.333471 0.662530 Ga\n0.661865 0.338462 0.343731 Ga\n0.338135 0.661538 0.656269 Ga\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.488981 0.247755 0.757828 Co\n0.511019 0.752245 0.242172 Co\n0.000000 0.000000 0.500000 Co\n","nsites":13,"nelements":4,"elements":["Zr","Ga","Fe","Co"],"chemical_system":"Co-Fe-Ga-Zr","density":7.932208081037102,"density_atomic":0.07272489057156688,"volume":178.75585508385194,"volume_molar":8.280714776839371,"formula_full":"Zr1 Ga6 Fe3 Co3","formula_reduced":"ZrGa6(FeCo)3","formula_anonymous":"AB3C3D6","energy":-77.39357154,"energy_per_atom":-5.953351656923076,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-77.39357154,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.7233529,"is_theoretical":true,"updated_at":"2021-11-28T01:35:55.975000Z","spacegroup":2},{"id":"mp-1215361","created_at":"2022-09-04T14:45:57.473921Z","structure_string":"Zr1 Ga6 Fe1 Co5\n1.0\n0.000000 0.000000 5.042884\n-4.021475 4.304556 2.521443\n-4.021475 -4.304556 -2.521443\nZr Ga Fe Co\n1 6 1 5\ndirect\n0.998122 0.001878 0.998122 Zr\n0.500724 0.998014 0.498531 Ga\n0.999793 0.998014 0.498531 Ga\n0.500724 0.501469 0.001986 Ga\n0.999793 0.501469 0.001986 Ga\n0.499740 0.784798 0.784279 Ga\n0.499740 0.215721 0.215202 Ga\n0.281014 0.218986 0.781014 Fe\n0.645471 0.354529 0.645471 Co\n0.354408 0.645592 0.354408 Co\n0.002068 0.346537 0.350672 Co\n0.002068 0.649328 0.653463 Co\n0.716336 0.783664 0.216336 Co\n","nsites":13,"nelements":4,"elements":["Zr","Ga","Fe","Co"],"chemical_system":"Co-Fe-Ga-Zr","density":8.180157954168202,"density_atomic":0.07445959042356377,"volume":174.5913444601217,"volume_molar":8.087797321665377,"formula_full":"Zr1 Ga6 Fe1 Co5","formula_reduced":"ZrGa6FeCo5","formula_anonymous":"ABC5D6","energy":-71.62623213,"energy_per_atom":-5.5097101638461545,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-71.62623213,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.4439509,"is_theoretical":true,"updated_at":"2021-11-28T01:37:13.486000Z","spacegroup":44},{"id":"mp-12951","created_at":"2022-09-04T14:47:20.214312Z","structure_string":"Zr2 Ga2 Au2\n1.0\n2.199587 -3.809797 0.000000\n2.199587 3.809797 0.000000\n0.000000 0.000000 6.779665\nZr Ga Au\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.666667 0.333333 0.215135 Ga\n0.666667 0.333333 0.784865 Ga\n0.333333 0.666667 0.715008 Au\n0.333333 0.666667 0.284992 Au\n","nsites":6,"nelements":3,"elements":["Zr","Ga","Au"],"chemical_system":"Au-Ga-Zr","density":10.461068509673579,"density_atomic":0.05280439123588675,"volume":113.62691358748778,"volume_molar":11.4046211291368,"formula_full":"Zr2 Ga2 Au2","formula_reduced":"ZrGaAu","formula_anonymous":"ABC","energy":-33.2887287,"energy_per_atom":-5.54812145,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.2887287,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.62e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:38:07.774000Z","spacegroup":187},{"id":"mp-1079246","created_at":"2022-09-04T14:44:19.780590Z","structure_string":"Zr3 Ga3 Co3\n1.0\n3.488906 -6.042963 0.000000\n3.488906 6.042963 0.000000\n0.000000 0.000000 3.323565\nZr Ga Co\n3 3 3\ndirect\n0.401772 0.401772 0.500000 Zr\n0.598228 0.000000 0.500000 Zr\n0.000000 0.598228 0.500000 Zr\n0.737183 0.737183 0.000000 Ga\n0.262817 0.000000 0.000000 Ga\n0.000000 0.262817 0.000000 Ga\n0.666667 0.333333 0.000000 Co\n0.333333 0.666667 0.000000 Co\n0.000000 0.000000 0.500000 Co\n","nsites":9,"nelements":3,"elements":["Zr","Ga","Co"],"chemical_system":"Co-Ga-Zr","density":7.8159737005562,"density_atomic":0.06421982728022439,"volume":140.14363446865616,"volume_molar":9.377385482091503,"formula_full":"Zr3 Ga3 Co3","formula_reduced":"ZrGaCo","formula_anonymous":"ABC","energy":-61.03417053,"energy_per_atom":-6.781574503333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-61.03417053,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0031699,"is_theoretical":false,"updated_at":"2021-11-28T01:36:36.764000Z","spacegroup":189},{"id":"mp-1095734","created_at":"2022-09-04T14:39:32.058235Z","structure_string":"Zr1 Ga1 Co2\n1.0\n-4.448896 5.186529 7.317869\n4.448896 -5.186529 7.317869\n4.448896 5.186529 -7.317869\nZr Ga Co\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ga\n0.000000 0.267117 0.267117 Co\n0.000000 0.732883 0.732883 Co\n","nsites":4,"nelements":3,"elements":["Zr","Ga","Co"],"chemical_system":"Co-Ga-Zr","density":0.6854709246028909,"density_atomic":0.005922244116428562,"volume":675.4196418387797,"volume_molar":101.68680388054791,"formula_full":"Zr1 Ga1 Co2","formula_reduced":"ZrGaCo2","formula_anonymous":"ABC2","energy":-15.91562755,"energy_per_atom":-3.9789068875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.91562755,"band_gap":0.0,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.3328359,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.918000Z","spacegroup":71},{"id":"mp-1188052","created_at":"2022-09-04T14:39:06.674526Z","structure_string":"Zr1 Ga1 Co2\n1.0\n0.000000 3.039806 3.039806\n3.039806 0.000000 3.039806\n3.039806 3.039806 0.000000\nZr Ga Co\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Ga\n0.750000 0.750000 0.750000 Co\n0.250000 0.250000 0.250000 Co\n","nsites":4,"nelements":3,"elements":["Zr","Ga","Co"],"chemical_system":"Co-Ga-Zr","density":8.241288641484601,"density_atomic":0.07120203267132984,"volume":56.17817146406604,"volume_molar":8.457821404900525,"formula_full":"Zr1 Ga1 Co2","formula_reduced":"ZrGaCo2","formula_anonymous":"ABC2","energy":-27.56031704,"energy_per_atom":-6.89007926,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.56031704,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0152468,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.202000Z","spacegroup":225},{"id":"mp-1215780","created_at":"2022-09-04T14:42:50.821521Z","structure_string":"Zr1 Ga6 Co6\n1.0\n0.000000 0.000000 5.090720\n-3.985380 4.292481 2.545360\n-3.985380 -4.292481 -2.545360\nZr Ga Co\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.000000 0.500000 Ga\n0.000000 0.000000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.500000 0.000000 Ga\n0.500000 0.790015 0.790015 Ga\n0.500000 0.209985 0.209985 Ga\n0.643814 0.356186 0.643814 Co\n0.356186 0.643814 0.356186 Co\n0.000000 0.346902 0.346902 Co\n0.000000 0.653098 0.653098 Co\n0.719257 0.780743 0.219257 Co\n0.280743 0.219257 0.780743 Co\n","nsites":13,"nelements":3,"elements":["Zr","Ga","Co"],"chemical_system":"Co-Ga-Zr","density":8.229125159135135,"density_atomic":0.07463731839816605,"volume":174.17560382661645,"volume_molar":8.0685384861683,"formula_full":"Zr1 Ga6 Co6","formula_reduced":"Zr(GaCo)6","formula_anonymous":"AB6C6","energy":-70.66702066,"energy_per_atom":-5.435924666153847,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-70.66702066,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9192754,"is_theoretical":true,"updated_at":"2021-11-28T01:35:52.616000Z","spacegroup":71},{"id":"mp-1215276","created_at":"2022-09-04T14:42:01.420302Z","structure_string":"Zr2 Ga2 Cu2\n1.0\n-2.123014 -3.680110 -0.000719\n-4.246029 0.000000 0.000000\n0.000000 -0.001184 -6.559772\nZr Ga Cu\n2 2 2\ndirect\n0.999790 0.000105 0.771150 Zr\n0.000210 0.999895 0.228850 Zr\n0.666440 0.666780 0.458984 Ga\n0.333560 0.333220 0.541016 Ga\n0.333420 0.333290 0.974550 Cu\n0.666580 0.666710 0.025450 Cu\n","nsites":6,"nelements":3,"elements":["Zr","Ga","Cu"],"chemical_system":"Cu-Ga-Zr","density":7.273599952741475,"density_atomic":0.05853542350426397,"volume":102.50203450843632,"volume_molar":10.288027999936348,"formula_full":"Zr2 Ga2 Cu2","formula_reduced":"ZrGaCu","formula_anonymous":"ABC","energy":-33.14386609,"energy_per_atom":-5.5239776816666675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.14386609,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0059769,"is_theoretical":true,"updated_at":"2021-11-28T01:35:36.563000Z","spacegroup":164},{"id":"mp-1077351","created_at":"2022-09-04T14:45:09.736256Z","structure_string":"Zr2 Ga2 Cu2\n1.0\n2.122882 -3.676940 0.000000\n2.122882 3.676940 0.000000\n0.000000 0.000000 6.436656\nZr Ga Cu\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.333333 0.666667 0.750000 Ga\n0.666667 0.333333 0.250000 Ga\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.750000 Cu\n","nsites":6,"nelements":3,"elements":["Zr","Ga","Cu"],"chemical_system":"Cu-Ga-Zr","density":7.419577985382778,"density_atomic":0.05971020435810476,"volume":100.48533687836208,"volume_molar":10.085614049958592,"formula_full":"Zr2 Ga2 Cu2","formula_reduced":"ZrGaCu","formula_anonymous":"ABC","energy":-33.97366818,"energy_per_atom":-5.6622780299999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.97366818,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001318,"is_theoretical":false,"updated_at":"2021-11-28T01:36:46.992000Z","spacegroup":194},{"id":"mp-1096137","created_at":"2022-09-04T14:44:52.153207Z","structure_string":"Zr1 Ga1 Cu2\n1.0\n-5.124156 5.148699 7.034345\n5.124156 -5.148699 7.034345\n5.124156 5.148699 -7.034345\nZr Ga Cu\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ga\n0.000000 0.239787 0.239787 Cu\n0.000000 0.760213 0.760213 Cu\n","nsites":4,"nelements":3,"elements":["Zr","Ga","Cu"],"chemical_system":"Cu-Ga-Zr","density":0.6443129941474444,"density_atomic":0.005388358584210973,"volume":742.3410928368507,"volume_molar":111.76206382489357,"formula_full":"Zr1 Ga1 Cu2","formula_reduced":"ZrGaCu2","formula_anonymous":"ABC2","energy":-10.69013421,"energy_per_atom":-2.6725335525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.69013421,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.9996676,"is_theoretical":true,"updated_at":"2021-11-28T01:36:42.815000Z","spacegroup":71},{"id":"mp-1103910","created_at":"2022-09-04T14:44:01.203285Z","structure_string":"Zr1 Ga6 Fe6\n1.0\n-2.495023 4.212272 4.298650\n2.495023 -4.212272 4.298650\n2.495023 4.212272 -4.298650\nZr Ga Fe\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Zr\n0.331714 0.000000 0.331714 Ga\n0.668286 0.000000 0.668286 Ga\n0.659236 0.659236 0.000000 Ga\n0.340764 0.340764 0.000000 Ga\n0.173686 0.673686 0.500000 Ga\n0.826314 0.326314 0.500000 Ga\n0.754929 0.500000 0.254929 Fe\n0.245071 0.500000 0.745071 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n","nsites":13,"nelements":3,"elements":["Zr","Ga","Fe"],"chemical_system":"Fe-Ga-Zr","density":7.761284275235918,"density_atomic":0.07193832381439101,"volume":180.71035451898302,"volume_molar":8.371255320790906,"formula_full":"Zr1 Ga6 Fe6","formula_reduced":"Zr(GaFe)6","formula_anonymous":"AB6C6","energy":-81.53032535,"energy_per_atom":-6.271563488461538,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-81.53032535,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.8292082,"is_theoretical":false,"updated_at":"2021-11-28T01:36:33.481000Z","spacegroup":71},{"id":"mp-1095828","created_at":"2022-09-04T14:46:55.547071Z","structure_string":"Zr1 Ga1 Ir2\n1.0\n-4.678889 5.622124 8.000842\n4.678889 -5.622124 8.000842\n4.678889 5.622124 -8.000842\nZr Ga Ir\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ga\n0.000000 0.260411 0.260411 Ir\n0.000000 0.739589 0.739589 Ir\n","nsites":4,"nelements":3,"elements":["Zr","Ga","Ir"],"chemical_system":"Ga-Ir-Zr","density":1.0757472724649255,"density_atomic":0.0047513950791894955,"volume":841.8580087182163,"volume_molar":126.74468571086014,"formula_full":"Zr1 Ga1 Ir2","formula_reduced":"ZrGaIr2","formula_anonymous":"ABC2","energy":-20.11539642,"energy_per_atom":-5.028849105,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.11539642,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0051179,"is_theoretical":true,"updated_at":"2021-11-28T01:37:47.910000Z","spacegroup":71}]}