{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_per_atom&page=50","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_per_atom&page=48","results":[{"id":"mp-1216627","created_at":"2022-09-04T14:46:23.300418Z","structure_string":"U1 Ta1 C2\n1.0\n5.698067 -1.630096 0.000000\n5.698067 1.630096 0.000000\n5.231731 0.000000 2.784630\nU Ta C\n1 1 2\ndirect\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.000000 Ta\n0.741733 0.741733 0.741733 C\n0.258267 0.258267 0.258267 C\n","nsites":4,"nelements":3,"elements":["U","Ta","C"],"chemical_system":"C-Ta-U","density":14.220433071111142,"density_atomic":0.07732532690662673,"volume":51.729493556880165,"volume_molar":7.788057291076137,"formula_full":"U1 Ta1 C2","formula_reduced":"UTaC2","formula_anonymous":"ABC2","energy":-43.53995061,"energy_per_atom":-10.8849876525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-43.53995061,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.7941414,"is_theoretical":true,"updated_at":"2021-11-28T01:37:33.739000Z","spacegroup":166},{"id":"mp-974492","created_at":"2022-09-04T14:40:23.136754Z","structure_string":"Re2 Tc6\n1.0\n2.763836 -4.787104 0.000000\n2.763836 4.787104 0.000000\n0.000000 0.000000 4.440874\nRe Tc\n2 6\ndirect\n0.333333 0.666667 0.750000 Re\n0.666667 0.333333 0.250000 Re\n0.167417 0.334833 0.250000 Tc\n0.665167 0.832583 0.250000 Tc\n0.167417 0.832583 0.250000 Tc\n0.832583 0.665167 0.750000 Tc\n0.334833 0.167417 0.750000 Tc\n0.832583 0.167417 0.750000 Tc\n","nsites":8,"nelements":2,"elements":["Re","Tc"],"chemical_system":"Re-Tc","density":13.571379680661046,"density_atomic":0.06807794036537443,"volume":117.51236828059113,"volume_molar":8.845950285333489,"formula_full":"Re2 Tc6","formula_reduced":"ReTc3","formula_anonymous":"AB3","energy":-87.06905188,"energy_per_atom":-10.883631485,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-87.06905188,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0037342,"is_theoretical":true,"updated_at":"2021-11-28T01:34:53.408000Z","spacegroup":194},{"id":"mp-756715","created_at":"2022-09-04T14:42:45.569224Z","structure_string":"Gd6 In2 O12\n1.0\n4.688432 -4.876945 0.000000\n4.688432 4.876945 0.000000\n-0.384606 0.000000 6.754115\nGd In O\n6 2 12\ndirect\n0.560223 0.068189 0.253382 Gd\n0.068189 0.253382 0.560223 Gd\n0.746618 0.439777 0.931811 Gd\n0.253382 0.560223 0.068189 Gd\n0.931811 0.746618 0.439777 Gd\n0.439777 0.931811 0.746618 Gd\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 In\n0.689982 0.088635 0.931642 O\n0.911365 0.068358 0.310018 O\n0.403682 0.189318 0.534226 O\n0.068358 0.310018 0.911365 O\n0.534226 0.403682 0.189318 O\n0.810682 0.465774 0.596318 O\n0.189318 0.534226 0.403682 O\n0.465774 0.596318 0.810682 O\n0.931642 0.689982 0.088635 O\n0.596318 0.810682 0.465774 O\n0.088635 0.931642 0.689982 O\n0.310018 0.911365 0.068358 O\n","nsites":20,"nelements":3,"elements":["Gd","In","O"],"chemical_system":"Gd-In-O","density":7.339201314334398,"density_atomic":0.06475242980174843,"volume":308.86871830499194,"volume_molar":9.300254489967251,"formula_full":"Gd6 In2 O12","formula_reduced":"Gd3InO6","formula_anonymous":"AB3C6","energy":-217.57603539,"energy_per_atom":-10.878801769499999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-209.33203539,"band_gap":2.8589,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":42.0000002,"is_theoretical":true,"updated_at":"2021-11-28T01:36:07.133000Z","spacegroup":148},{"id":"mp-1226544","created_at":"2022-09-04T14:46:06.674265Z","structure_string":"Ce1 Gd1 N2\n1.0\n3.552471 0.000000 0.000000\n0.000000 3.552471 0.000000\n0.000000 0.000000 4.988445\nCe Gd N\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Gd\n0.000000 0.000000 0.500000 N\n0.500000 0.500000 0.000000 N\n","nsites":4,"nelements":3,"elements":["Ce","Gd","N"],"chemical_system":"Ce-Gd-N","density":8.582481590268573,"density_atomic":0.06353802634655692,"volume":62.954426349076506,"volume_molar":9.47801042347979,"formula_full":"Ce1 Gd1 N2","formula_reduced":"CeGdN2","formula_anonymous":"ABC2","energy":-43.51170702,"energy_per_atom":-10.877926755,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.78970702,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.3580446,"is_theoretical":true,"updated_at":"2021-11-28T01:37:27.764000Z","spacegroup":123},{"id":"mp-1224704","created_at":"2022-09-04T14:48:15.898498Z","structure_string":"Gd4 Sc2 Nb2 O14\n1.0\n-3.683922 3.749641 5.254281\n3.683922 -3.749641 5.254281\n3.683922 3.749641 -5.254281\nGd Sc Nb O\n4 2 2 14\ndirect\n0.000000 0.500000 0.000000 Gd\n0.000000 0.000000 0.500000 Gd\n0.000000 0.500000 0.500000 Gd\n0.500000 0.500000 0.000000 Gd\n0.500000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.500000 0.000000 0.500000 Nb\n0.000000 0.000000 0.000000 Nb\n0.878515 0.628515 0.250000 O\n0.121485 0.371485 0.750000 O\n0.823151 0.073151 0.750000 O\n0.402059 0.652059 0.750000 O\n0.841696 0.673054 0.765339 O\n0.407715 0.076358 0.734661 O\n0.841696 0.076358 0.168642 O\n0.407715 0.673054 0.331358 O\n0.176849 0.926849 0.250000 O\n0.597941 0.347941 0.250000 O\n0.158304 0.326946 0.234661 O\n0.592285 0.923642 0.265339 O\n0.158304 0.923642 0.831358 O\n0.592285 0.326946 0.668642 O\n","nsites":22,"nelements":4,"elements":["Gd","Sc","Nb","O"],"chemical_system":"Gd-Nb-O-Sc","density":6.455954301161068,"density_atomic":0.07577907133237406,"volume":290.31762481630255,"volume_molar":7.946970917057469,"formula_full":"Gd4 Sc2 Nb2 O14","formula_reduced":"Gd2ScNbO7","formula_anonymous":"ABC2D7","energy":-239.31265624,"energy_per_atom":-10.87784801090909,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-229.69465624,"band_gap":2.3666,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":28.0031531,"is_theoretical":true,"updated_at":"2021-11-28T01:38:44.011000Z","spacegroup":74},{"id":"mp-5302","created_at":"2022-09-04T14:41:28.483695Z","structure_string":"Gd4 Ti4 O14\n1.0\n0.000000 5.128882 5.128882\n5.128882 0.000000 5.128882\n5.128882 5.128882 0.000000\nGd Ti O\n4 4 14\ndirect\n0.625000 0.625000 0.125000 Gd\n0.625000 0.125000 0.625000 Gd\n0.125000 0.625000 0.625000 Gd\n0.625000 0.625000 0.625000 Gd\n0.125000 0.125000 0.625000 Ti\n0.125000 0.625000 0.125000 Ti\n0.625000 0.125000 0.125000 Ti\n0.125000 0.125000 0.125000 Ti\n0.750000 0.750000 0.750000 O\n0.500000 0.500000 0.500000 O\n0.047163 0.452837 0.047163 O\n0.797163 0.202837 0.797163 O\n0.047163 0.047163 0.452837 O\n0.452837 0.047163 0.047163 O\n0.047163 0.452837 0.452837 O\n0.452837 0.452837 0.047163 O\n0.452837 0.047163 0.452837 O\n0.202837 0.797163 0.797163 O\n0.797163 0.202837 0.202837 O\n0.202837 0.797163 0.202837 O\n0.797163 0.797163 0.202837 O\n0.202837 0.202837 0.797163 O\n","nsites":22,"nelements":3,"elements":["Gd","Ti","O"],"chemical_system":"Gd-O-Ti","density":6.4275079969684406,"density_atomic":0.08153133677522931,"volume":269.8348987046659,"volume_molar":7.386289736181089,"formula_full":"Gd4 Ti4 O14","formula_reduced":"Gd2Ti2O7","formula_anonymous":"A2B2C7","energy":-239.23049328,"energy_per_atom":-10.87411333090909,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-229.61249328,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":28.0000001,"is_theoretical":false,"updated_at":"2021-11-28T01:35:27.242000Z","spacegroup":227},{"id":"mp-15813","created_at":"2022-09-04T14:45:28.966844Z","structure_string":"Mn12 W12 C4\n1.0\n0.000000 5.567288 5.567288\n5.567288 0.000000 5.567288\n5.567288 5.567288 0.000000\nMn W C\n12 12 4\ndirect\n0.125000 0.125000 0.125000 Mn\n0.328039 0.328039 0.015884 Mn\n0.015884 0.328039 0.328039 Mn\n0.921961 0.234116 0.921961 Mn\n0.234116 0.921961 0.921961 Mn\n0.921961 0.921961 0.921961 Mn\n0.921961 0.921961 0.234116 Mn\n0.328039 0.015884 0.328039 Mn\n0.625000 0.125000 0.125000 Mn\n0.125000 0.125000 0.625000 Mn\n0.125000 0.625000 0.125000 Mn\n0.328039 0.328039 0.328039 Mn\n0.698480 0.301520 0.698480 W\n0.301520 0.698480 0.301520 W\n0.551520 0.948480 0.551520 W\n0.551520 0.948480 0.948480 W\n0.948480 0.551520 0.551520 W\n0.948480 0.551520 0.948480 W\n0.301520 0.301520 0.698480 W\n0.551520 0.551520 0.948480 W\n0.698480 0.698480 0.301520 W\n0.698480 0.301520 0.301520 W\n0.948480 0.948480 0.551520 W\n0.301520 0.698480 0.698480 W\n0.625000 0.625000 0.625000 C\n0.625000 0.625000 0.125000 C\n0.125000 0.625000 0.625000 C\n0.625000 0.125000 0.625000 C\n","nsites":28,"nelements":3,"elements":["Mn","W","C"],"chemical_system":"C-Mn-W","density":14.017968286713934,"density_atomic":0.08113289463319434,"volume":345.11279458953516,"volume_molar":7.422563668196954,"formula_full":"Mn12 W12 C4","formula_reduced":"Mn3W3C","formula_anonymous":"AB3C3","energy":-304.4722185,"energy_per_atom":-10.874007803571429,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-304.4722185,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.5248049,"is_theoretical":false,"updated_at":"2021-11-28T01:36:53.603000Z","spacegroup":227},{"id":"mp-1224285","created_at":"2022-09-04T14:43:10.030191Z","structure_string":"Hf1 Ta1 C2\n1.0\n5.361020 -1.608679 0.000000\n5.361020 1.608679 0.000000\n4.878304 0.000000 2.744182\nHf Ta C\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Ta\n0.246933 0.246933 0.246933 C\n0.753067 0.753067 0.753067 C\n","nsites":4,"nelements":3,"elements":["Hf","Ta","C"],"chemical_system":"C-Hf-Ta","density":13.452674155630627,"density_atomic":0.08450847494588573,"volume":47.33253088002553,"volume_molar":7.126079087164011,"formula_full":"Hf1 Ta1 C2","formula_reduced":"HfTaC2","formula_anonymous":"ABC2","energy":-43.49287669,"energy_per_atom":-10.8732191725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-43.49287669,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0036221,"is_theoretical":true,"updated_at":"2021-11-28T01:36:04.764000Z","spacegroup":166},{"id":"mp-1223850","created_at":"2022-09-04T14:47:29.257874Z","structure_string":"Hf2 C1 N1\n1.0\n5.392355 -1.626499 0.000000\n5.392355 1.626499 0.000000\n4.901754 0.000000 2.774131\nHf C N\n2 1 1\ndirect\n0.748786 0.748786 0.748786 Hf\n0.251214 0.251214 0.251214 Hf\n0.000000 0.000000 0.000000 C\n0.500000 0.500000 0.500000 N\n","nsites":4,"nelements":3,"elements":["Hf","C","N"],"chemical_system":"C-Hf-N","density":13.069401070247894,"density_atomic":0.0821997986629951,"volume":48.66191967694843,"volume_molar":7.326223248659929,"formula_full":"Hf2 C1 N1","formula_reduced":"Hf2CN","formula_anonymous":"ABC2","energy":-43.48873679,"energy_per_atom":-10.8721841975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-43.12773679,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.004878,"is_theoretical":true,"updated_at":"2021-11-28T01:38:12.465000Z","spacegroup":166},{"id":"mp-1184604","created_at":"2022-09-04T14:47:23.010951Z","structure_string":"Hf2 Os1 Ru1\n1.0\n0.000000 3.255542 3.255542\n3.255542 0.000000 3.255542\n3.255542 3.255542 0.000000\nHf Os Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Hf\n0.750000 0.750000 0.750000 Hf\n0.500000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Ru\n","nsites":4,"nelements":3,"elements":["Hf","Os","Ru"],"chemical_system":"Hf-Os-Ru","density":15.599540913973113,"density_atomic":0.057964232250132475,"volume":69.00807350882937,"volume_molar":10.389408306164938,"formula_full":"Hf2 Os1 Ru1","formula_reduced":"Hf2OsRu","formula_anonymous":"ABC2","energy":-43.48828268,"energy_per_atom":-10.87207067,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-43.48828268,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.3e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:38:00.379000Z","spacegroup":225},{"id":"mp-510404","created_at":"2022-09-04T14:41:32.200908Z","structure_string":"Gd1 Se1\n1.0\n0.000000 2.934190 2.934190\n2.934190 0.000000 2.934190\n2.934190 2.934190 0.000000\nGd Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 Se\n","nsites":2,"nelements":2,"elements":["Gd","Se"],"chemical_system":"Gd-Se","density":7.763412874901705,"density_atomic":0.03958542409450146,"volume":50.52364716935813,"volume_molar":15.21302574812251,"formula_full":"Gd1 Se1","formula_reduced":"GdSe","formula_anonymous":"AB","energy":-21.73964027,"energy_per_atom":-10.869820135,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.26764027,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.7578517,"is_theoretical":false,"updated_at":"2021-11-28T01:35:25.783000Z","spacegroup":225},{"id":"mp-1194204","created_at":"2022-09-04T14:46:58.144964Z","structure_string":"Hf18 Fe2 Re8\n1.0\n0.000000 0.000000 -8.425345\n-4.294086 -7.439390 0.000000\n-4.294086 7.439390 0.000000\nHf Fe Re\n18 2 8\ndirect\n0.558206 0.799703 0.599370 Hf\n0.558270 0.799662 0.200338 Hf\n0.558206 0.400630 0.200297 Hf\n0.441794 0.200297 0.400630 Hf\n0.441730 0.200338 0.799662 Hf\n0.441794 0.599370 0.799703 Hf\n0.058206 0.200297 0.400630 Hf\n0.058270 0.200338 0.799662 Hf\n0.058206 0.599370 0.799703 Hf\n0.941794 0.799703 0.599370 Hf\n0.941730 0.799662 0.200338 Hf\n0.941794 0.400630 0.200297 Hf\n0.750000 0.460657 0.921359 Hf\n0.750000 0.460628 0.539372 Hf\n0.750000 0.078641 0.539342 Hf\n0.250000 0.539342 0.078641 Hf\n0.250000 0.539372 0.460628 Hf\n0.250000 0.921359 0.460657 Hf\n0.750000 0.666595 0.333405 Fe\n0.250000 0.333405 0.666595 Fe\n0.750000 0.110077 0.220200 Re\n0.750000 0.110098 0.889902 Re\n0.750000 0.779800 0.889923 Re\n0.250000 0.889923 0.779800 Re\n0.250000 0.889902 0.110098 Re\n0.250000 0.220200 0.110077 Re\n0.500000 0.000000 0.000000 Re\n0.000000 0.000000 0.000000 Re\n","nsites":28,"nelements":3,"elements":["Hf","Fe","Re"],"chemical_system":"Fe-Hf-Re","density":14.85061383555053,"density_atomic":0.0520154401362116,"volume":538.3017028535578,"volume_molar":11.577602235470783,"formula_full":"Hf18 Fe2 Re8","formula_reduced":"Hf9FeRe4","formula_anonymous":"AB4C9","energy":-304.34112657,"energy_per_atom":-10.869325948928571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-304.34112657,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001972,"is_theoretical":false,"updated_at":"2021-11-28T01:37:48.100000Z","spacegroup":194}]}