{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_per_atom&page=38","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_per_atom&page=36","results":[{"id":"mp-21149","created_at":"2022-09-04T14:40:22.002937Z","structure_string":"Gd2 O4\n1.0\n3.373380 0.000000 0.000000\n0.000000 3.373380 0.000000\n0.000000 0.000000 6.465444\nGd O\n2 4\ndirect\n0.000000 0.500000 0.732113 Gd\n0.500000 0.000000 0.267887 Gd\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.635420 O\n0.000000 0.500000 0.364580 O\n","nsites":6,"nelements":2,"elements":["Gd","O"],"chemical_system":"Gd-O","density":8.542467624531808,"density_atomic":0.08154969937529534,"volume":73.57476540027123,"volume_molar":7.3846265604068515,"formula_full":"Gd2 O4","formula_reduced":"GdO2","formula_anonymous":"AB2","energy":-66.53886778,"energy_per_atom":-11.089811296666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-63.79086778,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.1903531,"is_theoretical":false,"updated_at":"2021-11-28T01:34:49.080000Z","spacegroup":129},{"id":"mp-1216231","created_at":"2022-09-04T14:42:40.121023Z","structure_string":"V1 W1\n1.0\n1.555032 -2.232577 0.000000\n1.555032 2.232577 0.000000\n0.000000 0.000000 4.294738\nV W\n1 1\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 W\n","nsites":2,"nelements":2,"elements":["V","W"],"chemical_system":"V-W","density":13.073760446546535,"density_atomic":0.06706833860319643,"volume":29.820330153588767,"volume_molar":8.979111284729198,"formula_full":"V1 W1","formula_reduced":"VW","formula_anonymous":"AB","energy":-22.17910642,"energy_per_atom":-11.08955321,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.17910642,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0243515,"is_theoretical":true,"updated_at":"2021-11-28T01:35:50.606000Z","spacegroup":65},{"id":"mp-1186194","created_at":"2022-09-04T14:43:13.290616Z","structure_string":"Np3 B1\n1.0\n-0.000178 3.123615 3.123605\n3.123790 -0.000329 3.123757\n3.123721 3.123698 -0.000261\nNp B\n3 1\ndirect\n0.000014 0.999985 0.000004 Np\n0.499993 0.500008 0.499991 Np\n0.249999 0.250001 0.250006 Np\n0.749995 0.750007 0.750001 B\n","nsites":4,"nelements":2,"elements":["Np","B"],"chemical_system":"B-Np","density":19.659942074283105,"density_atomic":0.0656099386380612,"volume":60.96637312932262,"volume_molar":9.178702015286563,"formula_full":"Np3 B1","formula_reduced":"Np3B","formula_anonymous":"AB3","energy":-44.34919501,"energy_per_atom":-11.0872987525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.34919501,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.8125938,"is_theoretical":true,"updated_at":"2021-11-28T01:36:17.501000Z","spacegroup":225},{"id":"mp-867212","created_at":"2022-09-04T14:43:38.028054Z","structure_string":"Tc2 Os6\n1.0\n2.761816 -4.783606 0.000000\n2.761816 4.783606 0.000000\n0.000000 0.000000 4.357727\nTc Os\n2 6\ndirect\n0.333333 0.666667 0.750000 Tc\n0.666667 0.333333 0.250000 Tc\n0.167377 0.334754 0.250000 Os\n0.665246 0.832623 0.250000 Os\n0.167377 0.832623 0.250000 Os\n0.832623 0.665246 0.750000 Os\n0.334754 0.167377 0.750000 Os\n0.832623 0.167377 0.750000 Os\n","nsites":8,"nelements":2,"elements":["Tc","Os"],"chemical_system":"Os-Tc","density":19.28695927323999,"density_atomic":0.06947840321582621,"volume":115.1436940073158,"volume_molar":8.667644161730303,"formula_full":"Tc2 Os6","formula_reduced":"TcOs3","formula_anonymous":"AB3","energy":-88.68780414,"energy_per_atom":-11.0859755175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-88.68780414,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001616,"is_theoretical":true,"updated_at":"2021-11-28T01:36:18.303000Z","spacegroup":194},{"id":"mp-862589","created_at":"2022-09-04T14:47:08.558450Z","structure_string":"Re6 Pt2\n1.0\n2.797280 -4.845032 0.000000\n2.797280 4.845032 0.000000\n0.000000 0.000000 4.437120\nRe Pt\n6 2\ndirect\n0.159275 0.318551 0.250000 Re\n0.681449 0.840725 0.250000 Re\n0.159275 0.840725 0.250000 Re\n0.840725 0.681449 0.750000 Re\n0.318551 0.159275 0.750000 Re\n0.840725 0.159275 0.750000 Re\n0.333333 0.666667 0.750000 Pt\n0.666667 0.333333 0.250000 Pt\n","nsites":8,"nelements":2,"elements":["Re","Pt"],"chemical_system":"Pt-Re","density":20.812139566556315,"density_atomic":0.06651601569838606,"volume":120.27178591507416,"volume_molar":9.053670302964525,"formula_full":"Re6 Pt2","formula_reduced":"Re3Pt","formula_anonymous":"AB3","energy":-88.68490379,"energy_per_atom":-11.08561297375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-88.68490379,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001649,"is_theoretical":true,"updated_at":"2021-11-28T01:37:52.056000Z","spacegroup":194},{"id":"mp-972323","created_at":"2022-09-04T14:42:15.078034Z","structure_string":"Ta1 Nb1 Tc2\n1.0\n0.000000 3.193619 3.193619\n3.193619 0.000000 3.193619\n3.193619 3.193619 0.000000\nTa Nb Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Nb\n0.250000 0.250000 0.250000 Tc\n0.750000 0.750000 0.750000 Tc\n","nsites":4,"nelements":3,"elements":["Ta","Nb","Tc"],"chemical_system":"Nb-Ta-Tc","density":11.976583878407984,"density_atomic":0.0614017410118996,"volume":65.14473260985879,"volume_molar":9.807768738728296,"formula_full":"Ta1 Nb1 Tc2","formula_reduced":"TaNbTc2","formula_anonymous":"ABC2","energy":-44.33888258,"energy_per_atom":-11.084720645,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.33888258,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004498,"is_theoretical":true,"updated_at":"2021-11-28T01:35:37.255000Z","spacegroup":225},{"id":"mp-973443","created_at":"2022-09-04T14:42:07.129753Z","structure_string":"Hf2 Re1 Tc1\n1.0\n0.000000 3.270413 3.270413\n3.270413 0.000000 3.270413\n3.270413 3.270413 0.000000\nHf Re Tc\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Hf\n0.750000 0.750000 0.750000 Hf\n0.500000 0.500000 0.500000 Re\n0.000000 0.000000 0.000000 Tc\n","nsites":4,"nelements":3,"elements":["Hf","Re","Tc"],"chemical_system":"Hf-Re-Tc","density":15.219346645818876,"density_atomic":0.057177109210279346,"volume":69.95806635290468,"volume_molar":10.532433071865295,"formula_full":"Hf2 Re1 Tc1","formula_reduced":"Hf2ReTc","formula_anonymous":"ABC2","energy":-44.33531531,"energy_per_atom":-11.0838288275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.33531531,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.004445,"is_theoretical":true,"updated_at":"2021-11-28T01:35:45.210000Z","spacegroup":225},{"id":"mp-754149","created_at":"2022-09-04T14:42:45.331777Z","structure_string":"Gd2 O2 F2\n1.0\n3.935620 0.000000 0.000000\n0.000000 3.935620 0.000000\n0.000000 0.000000 5.668008\nGd O F\n2 2 2\ndirect\n0.000000 0.500000 0.199316 Gd\n0.500000 0.000000 0.800684 Gd\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.601309 F\n0.500000 0.000000 0.398691 F\n","nsites":6,"nelements":3,"elements":["Gd","O","F"],"chemical_system":"F-Gd-O","density":7.272499610087264,"density_atomic":0.06834306912505554,"volume":87.79236983081748,"volume_molar":8.811633479586003,"formula_full":"Gd2 O2 F2","formula_reduced":"GdOF","formula_anonymous":"ABC","energy":-66.49821888,"energy_per_atom":-11.083036479999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-64.20021888,"band_gap":3.2028,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":14.0015968,"is_theoretical":true,"updated_at":"2021-11-28T01:35:51.610000Z","spacegroup":129},{"id":"mp-1223778","created_at":"2022-09-04T14:45:40.986033Z","structure_string":"Ir1 W1\n1.0\n1.403040 -2.430136 0.000000\n1.403040 2.430136 0.000000\n0.000000 0.000000 4.483946\nIr W\n1 1\ndirect\n0.333333 0.666667 0.500000 Ir\n0.000000 0.000000 0.000000 W\n","nsites":2,"nelements":2,"elements":["Ir","W"],"chemical_system":"Ir-W","density":20.422634894880506,"density_atomic":0.06540922363873573,"volume":30.576727390104477,"volume_molar":9.20686781616783,"formula_full":"Ir1 W1","formula_reduced":"IrW","formula_anonymous":"AB","energy":-22.15303791,"energy_per_atom":-11.076518955,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.15303791,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.73e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:19.329000Z","spacegroup":187},{"id":"mp-2828","created_at":"2022-09-04T14:40:14.145301Z","structure_string":"Hf1 N1\n1.0\n0.000000 2.268871 2.268871\n2.268871 0.000000 2.268871\n2.268871 2.268871 0.000000\nHf N\n1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 N\n","nsites":2,"nelements":2,"elements":["Hf","N"],"chemical_system":"Hf-N","density":13.68399724663909,"density_atomic":0.08561908604894641,"volume":23.359277613132278,"volume_molar":7.03364289190997,"formula_full":"Hf1 N1","formula_reduced":"HfN","formula_anonymous":"AB","energy":-22.15075196,"energy_per_atom":-11.07537598,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.78975196,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000136,"is_theoretical":false,"updated_at":"2021-11-28T01:34:55.731000Z","spacegroup":225},{"id":"mp-30789","created_at":"2022-09-04T14:44:24.332936Z","structure_string":"U2 Mo1\n1.0\n-1.715163 1.715163 4.854517\n1.715163 -1.715163 4.854517\n1.715163 1.715163 -4.854517\nU Mo\n2 1\ndirect\n0.320719 0.320719 0.000000 U\n0.679281 0.679281 0.000000 U\n0.000000 0.000000 0.000000 Mo\n","nsites":3,"nelements":2,"elements":["U","Mo"],"chemical_system":"Mo-U","density":16.627488444909705,"density_atomic":0.052517547672711544,"volume":57.123764016856775,"volume_molar":11.46691158835115,"formula_full":"U2 Mo1","formula_reduced":"U2Mo","formula_anonymous":"AB2","energy":-33.22218925,"energy_per_atom":-11.074063083333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.22218925,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0421186,"is_theoretical":false,"updated_at":"2021-11-28T01:36:40.708000Z","spacegroup":139},{"id":"mp-1187810","created_at":"2022-09-04T14:46:58.665704Z","structure_string":"U6 Ta2\n1.0\n2.975356 -5.153468 0.000000\n2.975356 5.153468 0.000000\n0.000000 0.000000 5.467919\nU Ta\n6 2\ndirect\n0.177338 0.354675 0.250000 U\n0.645325 0.822662 0.250000 U\n0.177338 0.822662 0.250000 U\n0.822662 0.645325 0.750000 U\n0.354675 0.177338 0.750000 U\n0.822662 0.177338 0.750000 U\n0.333333 0.666667 0.750000 Ta\n0.666667 0.333333 0.250000 Ta\n","nsites":8,"nelements":2,"elements":["U","Ta"],"chemical_system":"Ta-U","density":17.7267179365208,"density_atomic":0.04770889950878503,"volume":167.6835995457597,"volume_molar":12.622677995100464,"formula_full":"U6 Ta2","formula_reduced":"U3Ta","formula_anonymous":"AB3","energy":-88.58628824,"energy_per_atom":-11.07328603,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-88.58628824,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1034085,"is_theoretical":true,"updated_at":"2021-11-28T01:37:44.739000Z","spacegroup":194}]}