{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-density&page=65","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-density&page=63","results":[{"id":"mp-976943","created_at":"2022-09-04T14:48:28.559858Z","structure_string":"Na1 Re3\n1.0\n0.000000 3.125462 3.125462\n3.125462 0.000000 3.125462\n3.125462 3.125462 0.000000\nNa Re\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.750000 0.750000 0.750000 Re\n0.250000 0.250000 0.250000 Re\n0.500000 0.500000 0.500000 Re\n","nsites":4,"nelements":2,"elements":["Na","Re"],"chemical_system":"Na-Re","density":15.816444879461987,"density_atomic":0.06550694206555342,"volume":61.062230564772236,"volume_molar":9.193133689515816,"formula_full":"Na1 Re3","formula_reduced":"NaRe3","formula_anonymous":"AB3","energy":-35.42297073,"energy_per_atom":-8.8557426825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-35.42297073,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0065229,"is_theoretical":true,"updated_at":"2021-11-28T01:39:51.350000Z","spacegroup":225},{"id":"mp-1186772","created_at":"2022-09-04T14:42:22.841910Z","structure_string":"Ta2 Cr1 Re1\n1.0\n0.000000 3.158640 3.158640\n3.158640 0.000000 3.158640\n3.158640 3.158640 0.000000\nTa Cr Re\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.750000 Ta\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Re\n","nsites":4,"nelements":3,"elements":["Ta","Cr","Re"],"chemical_system":"Cr-Re-Ta","density":15.810350977368982,"density_atomic":0.06346431591862906,"volume":63.0275445673851,"volume_molar":9.48901862854916,"formula_full":"Ta2 Cr1 Re1","formula_reduced":"Ta2CrRe","formula_anonymous":"ABC2","energy":-46.81532655,"energy_per_atom":-11.7038316375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.81532655,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0072803,"is_theoretical":true,"updated_at":"2021-11-28T01:35:46.462000Z","spacegroup":225},{"id":"mp-862739","created_at":"2022-09-04T14:40:18.770911Z","structure_string":"Pu1 Hg1 Au2\n1.0\n0.000000 3.531281 3.531281\n3.531281 0.000000 3.531281\n3.531281 3.531281 0.000000\nPu Hg Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Hg\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n","nsites":4,"nelements":3,"elements":["Pu","Hg","Au"],"chemical_system":"Au-Hg-Pu","density":15.810198389514301,"density_atomic":0.045418539269018184,"volume":88.06976323715811,"volume_molar":13.259212772850987,"formula_full":"Pu1 Hg1 Au2","formula_reduced":"PuHgAu2","formula_anonymous":"ABC2","energy":-20.3860842,"energy_per_atom":-5.09652105,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.3860842,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.3156776,"is_theoretical":true,"updated_at":"2021-11-28T01:34:52.830000Z","spacegroup":225},{"id":"mp-1102328","created_at":"2022-09-04T14:46:14.965634Z","structure_string":"Ho4 Re8\n1.0\n2.716846 -4.705716 0.000000\n2.716846 4.705716 0.000000\n0.000000 0.000000 8.831295\nHo Re\n4 8\ndirect\n0.333333 0.666667 0.437171 Ho\n0.666667 0.333333 0.562829 Ho\n0.666667 0.333333 0.937171 Ho\n0.333333 0.666667 0.062829 Ho\n0.000000 0.000000 0.500000 Re\n0.000000 0.000000 0.000000 Re\n0.828427 0.171573 0.250000 Re\n0.828427 0.656855 0.250000 Re\n0.343145 0.171573 0.250000 Re\n0.171573 0.828427 0.750000 Re\n0.171573 0.343145 0.750000 Re\n0.656855 0.828427 0.750000 Re\n","nsites":12,"nelements":2,"elements":["Ho","Re"],"chemical_system":"Ho-Re","density":15.805805327180229,"density_atomic":0.05314178320801699,"volume":225.81101490379936,"volume_molar":11.332214307576145,"formula_full":"Ho4 Re8","formula_reduced":"HoRe2","formula_anonymous":"AB2","energy":-120.84843746,"energy_per_atom":-10.070703121666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-120.84843746,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001632,"is_theoretical":false,"updated_at":"2021-11-28T01:37:29.484000Z","spacegroup":194},{"id":"mp-640163","created_at":"2022-09-04T14:41:06.841855Z","structure_string":"Co8 W16 C4\n1.0\n0.000000 5.665932 5.665932\n5.665932 0.000000 5.665932\n5.665932 5.665932 0.000000\nCo W C\n8 16 4\ndirect\n0.918533 0.244402 0.918533 Co\n0.244402 0.918533 0.918533 Co\n0.918533 0.918533 0.244402 Co\n0.005598 0.331467 0.331467 Co\n0.331467 0.005598 0.331467 Co\n0.918533 0.918533 0.918533 Co\n0.331467 0.331467 0.331467 Co\n0.331467 0.331467 0.005598 Co\n0.625000 0.125000 0.125000 W\n0.561690 0.938310 0.561690 W\n0.688310 0.311690 0.688310 W\n0.688310 0.688310 0.311690 W\n0.311690 0.311690 0.688310 W\n0.688310 0.311690 0.311690 W\n0.311690 0.688310 0.688310 W\n0.938310 0.561690 0.561690 W\n0.125000 0.125000 0.625000 W\n0.938310 0.938310 0.561690 W\n0.311690 0.688310 0.311690 W\n0.561690 0.561690 0.938310 W\n0.938310 0.561690 0.938310 W\n0.125000 0.625000 0.125000 W\n0.125000 0.125000 0.125000 W\n0.561690 0.938310 0.938310 W\n0.625000 0.625000 0.625000 C\n0.125000 0.625000 0.625000 C\n0.625000 0.125000 0.625000 C\n0.625000 0.625000 0.125000 C\n","nsites":28,"nelements":3,"elements":["Co","W","C"],"chemical_system":"C-Co-W","density":15.797928616477723,"density_atomic":0.07696866637376448,"volume":363.7843984983488,"volume_molar":7.824145907317819,"formula_full":"Co8 W16 C4","formula_reduced":"Co2W4C","formula_anonymous":"AB2C4","energy":-302.97800386,"energy_per_atom":-10.820642995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-302.97800386,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0029018,"is_theoretical":false,"updated_at":"2021-11-28T01:35:15.046000Z","spacegroup":227},{"id":"mp-11487","created_at":"2022-09-04T14:46:07.571611Z","structure_string":"La1 Pt3\n1.0\n4.238156 0.000000 0.000000\n0.000000 4.238156 0.000000\n0.000000 0.000000 4.238156\nLa Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 La\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n","nsites":4,"nelements":2,"elements":["La","Pt"],"chemical_system":"La-Pt","density":15.796151751727004,"density_atomic":0.052544731381750066,"volume":76.1256151628037,"volume_molar":11.460979248799855,"formula_full":"La1 Pt3","formula_reduced":"LaPt3","formula_anonymous":"AB3","energy":-26.55619949,"energy_per_atom":-6.6390498725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.55619949,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0051816,"is_theoretical":false,"updated_at":"2021-11-28T01:37:23.985000Z","spacegroup":221},{"id":"mp-2728","created_at":"2022-09-04T14:41:01.817563Z","structure_string":"Mn1 Ir1\n1.0\n2.662949 0.000000 0.000000\n0.000000 2.662949 0.000000\n0.000000 0.000000 3.664448\nMn Ir\n1 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Ir\n","nsites":2,"nelements":2,"elements":["Mn","Ir"],"chemical_system":"Ir-Mn","density":15.79371569526229,"density_atomic":0.07696543606719371,"volume":25.98569048909078,"volume_molar":7.824474293554895,"formula_full":"Mn1 Ir1","formula_reduced":"MnIr","formula_anonymous":"AB","energy":-18.31591343,"energy_per_atom":-9.157956715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.31591343,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.2296382,"is_theoretical":false,"updated_at":"2021-11-28T01:35:25.912000Z","spacegroup":123},{"id":"mp-1189186","created_at":"2022-09-04T14:46:05.202079Z","structure_string":"Ta8 B8 Os4\n1.0\n5.909345 0.000000 0.000000\n0.000000 5.909345 0.000000\n0.000000 0.000000 6.910344\nTa B Os\n8 8 4\ndirect\n0.664122 0.814571 0.500000 Ta\n0.335878 0.185429 0.500000 Ta\n0.835878 0.314571 0.000000 Ta\n0.164122 0.685429 0.000000 Ta\n0.814571 0.335878 0.500000 Ta\n0.185429 0.664122 0.500000 Ta\n0.314571 0.164122 0.000000 Ta\n0.685429 0.835878 0.000000 Ta\n0.386310 0.886310 0.250000 B\n0.613690 0.113690 0.250000 B\n0.113690 0.386310 0.750000 B\n0.886310 0.613690 0.750000 B\n0.886310 0.613690 0.250000 B\n0.113690 0.386310 0.250000 B\n0.386310 0.886310 0.750000 B\n0.613690 0.113690 0.750000 B\n0.500000 0.500000 0.222004 Os\n0.000000 0.000000 0.722004 Os\n0.500000 0.500000 0.777996 Os\n0.000000 0.000000 0.277996 Os\n","nsites":20,"nelements":3,"elements":["Ta","B","Os"],"chemical_system":"B-Os-Ta","density":15.792530816178234,"density_atomic":0.0828803615412191,"volume":241.31168865682795,"volume_molar":7.266064780623567,"formula_full":"Ta8 B8 Os4","formula_reduced":"Ta2B2Os","formula_anonymous":"AB2C2","energy":-206.14473431,"energy_per_atom":-10.3072367155,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-206.14473431,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.00013,"is_theoretical":false,"updated_at":"2021-11-28T01:37:21.523000Z","spacegroup":128},{"id":"mp-983430","created_at":"2022-09-04T14:39:33.762759Z","structure_string":"Hf1 Zn1 Pt2\n1.0\n0.000000 3.218524 3.218524\n3.218524 0.000000 3.218524\n3.218524 3.218524 0.000000\nHf Zn Pt\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Pt\n0.750000 0.750000 0.750000 Pt\n","nsites":4,"nelements":3,"elements":["Hf","Zn","Pt"],"chemical_system":"Hf-Pt-Zn","density":15.790067876772099,"density_atomic":0.059987358684010984,"volume":66.68071553325716,"volume_molar":10.039016372969826,"formula_full":"Hf1 Zn1 Pt2","formula_reduced":"HfZnPt2","formula_anonymous":"ABC2","energy":-26.8536285,"energy_per_atom":-6.713407125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.8536285,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002398,"is_theoretical":true,"updated_at":"2021-11-28T01:34:28.956000Z","spacegroup":225},{"id":"mp-864640","created_at":"2022-09-04T14:41:19.166466Z","structure_string":"Ta2 Nb1 Ir1\n1.0\n0.000000 3.240345 3.240345\n3.240345 0.000000 3.240345\n3.240345 3.240345 0.000000\nTa Nb Ir\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.750000 Ta\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Ir\n","nsites":4,"nelements":3,"elements":["Ta","Nb","Ir"],"chemical_system":"Ir-Nb-Ta","density":15.789285355121722,"density_atomic":0.05878360812708511,"volume":68.04618034592814,"volume_molar":10.24459190558812,"formula_full":"Ta2 Nb1 Ir1","formula_reduced":"Ta2NbIr","formula_anonymous":"ABC2","energy":-44.20967759,"energy_per_atom":-11.0524193975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.20967759,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006563,"is_theoretical":true,"updated_at":"2021-11-28T01:35:16.329000Z","spacegroup":225},{"id":"mp-1218065","created_at":"2022-09-04T14:44:55.935132Z","structure_string":"Ta12 O2\n1.0\n3.628965 3.276877 0.000000\n-3.635416 3.284668 0.000000\n0.000000 0.000000 9.725591\nTa O\n12 2\ndirect\n0.282862 0.713622 0.000000 Ta\n0.717138 0.286378 0.000000 Ta\n0.246427 0.740077 0.332008 Ta\n0.753573 0.259923 0.332008 Ta\n0.246427 0.740077 0.667992 Ta\n0.753573 0.259923 0.667992 Ta\n0.754689 0.758736 0.167959 Ta\n0.245311 0.241264 0.167959 Ta\n0.245311 0.241264 0.832041 Ta\n0.754689 0.758736 0.832041 Ta\n0.719040 0.788135 0.500000 Ta\n0.280960 0.211865 0.500000 Ta\n0.000000 0.000000 0.000000 O\n0.000000 0.500000 0.500000 O\n","nsites":14,"nelements":2,"elements":["Ta","O"],"chemical_system":"O-Ta","density":15.785084753384506,"density_atomic":0.06040011451203483,"volume":231.7876400252598,"volume_molar":9.970412819002318,"formula_full":"Ta12 O2","formula_reduced":"Ta6O","formula_anonymous":"AB6","energy":-161.23179273,"energy_per_atom":-11.516556623571429,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-159.85779273,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0053602,"is_theoretical":true,"updated_at":"2021-11-28T01:36:43.820000Z","spacegroup":12},{"id":"mp-569228","created_at":"2022-09-04T14:44:09.845087Z","structure_string":"W1 N1\n1.0\n0.000000 2.183259 2.183259\n2.183259 0.000000 2.183259\n2.183259 2.183259 0.000000\nW N\n1 1\ndirect\n0.000000 0.000000 0.000000 W\n0.500000 0.500000 0.500000 N\n","nsites":2,"nelements":2,"elements":["W","N"],"chemical_system":"N-W","density":15.784547459912037,"density_atomic":0.09609133401703474,"volume":20.81353142256769,"volume_molar":6.267100796969284,"formula_full":"W1 N1","formula_reduced":"WN","formula_anonymous":"AB","energy":-20.98581251,"energy_per_atom":-10.492906255,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.62481251,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.001873,"is_theoretical":false,"updated_at":"2021-11-28T01:36:28.040000Z","spacegroup":225}]}