{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_per_atom&page=66","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_per_atom&page=64","results":[{"id":"mp-760467","created_at":"2022-09-04T14:47:12.461980Z","structure_string":"Th1 U8 O18\n1.0\n6.668618 0.000000 0.000000\n1.112369 6.575034 0.000000\n2.222042 0.751353 8.282585\nTh U O\n1 8 18\ndirect\n0.000000 0.000000 0.500000 Th\n0.334372 0.665282 0.165606 U\n0.775516 0.556272 0.388170 U\n0.111392 0.223579 0.052807 U\n0.665628 0.334718 0.834394 U\n0.224484 0.443728 0.611830 U\n0.555945 0.112573 0.275406 U\n0.888608 0.776421 0.947193 U\n0.444055 0.887427 0.724594 U\n0.582714 0.665879 0.916975 O\n0.028420 0.555946 0.137634 O\n0.417286 0.334121 0.083025 O\n0.085340 0.661543 0.414496 O\n0.805294 0.110733 0.027893 O\n0.472615 0.445621 0.360595 O\n0.858771 0.226218 0.302071 O\n0.527385 0.554379 0.639405 O\n0.254847 0.000257 0.245372 O\n0.914660 0.338457 0.585504 O\n0.194706 0.889267 0.972107 O\n0.745153 0.999743 0.754628 O\n0.689628 0.886116 0.471548 O\n0.360173 0.223212 0.806707 O\n0.639827 0.776788 0.193293 O\n0.310372 0.113884 0.528452 O\n0.971580 0.444054 0.862366 O\n0.141229 0.773782 0.697929 O\n","nsites":27,"nelements":3,"elements":["Th","U","O"],"chemical_system":"O-Th-U","density":11.084810852330227,"density_atomic":0.0743470976652507,"volume":363.1614528057039,"volume_molar":8.100034768155725,"formula_full":"Th1 U8 O18","formula_reduced":"ThU8O18","formula_anonymous":"AB8C18","energy":-289.54802356,"energy_per_atom":-10.724000872592592,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-277.18202356,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.9999086,"is_theoretical":true,"updated_at":"2021-11-28T01:37:53.989000Z","spacegroup":2},{"id":"mp-1193183","created_at":"2022-09-04T14:44:15.669908Z","structure_string":"Hf18 Re8 Ni2\n1.0\n8.599086 0.000000 0.000000\n-4.299543 7.447027 0.000000\n0.000000 0.000000 8.432780\nHf Re Ni\n18 8 2\ndirect\n0.198266 0.801734 0.445051 Hf\n0.198266 0.396531 0.445051 Hf\n0.603469 0.801734 0.445051 Hf\n0.801734 0.198266 0.554949 Hf\n0.801734 0.603469 0.554949 Hf\n0.396531 0.198266 0.554949 Hf\n0.801734 0.198266 0.945051 Hf\n0.801734 0.603469 0.945051 Hf\n0.396531 0.198266 0.945051 Hf\n0.198266 0.801734 0.054949 Hf\n0.198266 0.396531 0.054949 Hf\n0.603469 0.801734 0.054949 Hf\n0.540310 0.459690 0.250000 Hf\n0.540310 0.080620 0.250000 Hf\n0.919380 0.459690 0.250000 Hf\n0.459690 0.540310 0.750000 Hf\n0.459690 0.919380 0.750000 Hf\n0.080620 0.540310 0.750000 Hf\n0.889366 0.110634 0.250000 Re\n0.889366 0.778731 0.250000 Re\n0.221269 0.110634 0.250000 Re\n0.110634 0.889366 0.750000 Re\n0.110634 0.221269 0.750000 Re\n0.778731 0.889366 0.750000 Re\n0.000000 0.000000 0.500000 Re\n0.000000 0.000000 0.000000 Re\n0.333333 0.666667 0.250000 Ni\n0.666667 0.333333 0.750000 Ni\n","nsites":28,"nelements":3,"elements":["Hf","Re","Ni"],"chemical_system":"Hf-Ni-Re","density":14.821009386929115,"density_atomic":0.0518503915380736,"volume":540.0152085532407,"volume_molar":11.614455708744183,"formula_full":"Hf18 Re8 Ni2","formula_reduced":"Hf9Re4Ni","formula_anonymous":"AB4C9","energy":-300.26941108,"energy_per_atom":-10.723907538571428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-300.26941108,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0356986,"is_theoretical":false,"updated_at":"2021-11-28T01:36:35.854000Z","spacegroup":194},{"id":"mp-1192774","created_at":"2022-09-04T14:44:12.293500Z","structure_string":"Hf18 Re8 S2\n1.0\n0.000000 0.000000 -8.559346\n-4.279475 -7.413996 0.000000\n-4.279475 7.413996 0.000000\nHf Re S\n18 8 2\ndirect\n0.552200 0.804213 0.608397 Hf\n0.552184 0.804170 0.195830 Hf\n0.552200 0.391603 0.195787 Hf\n0.447800 0.195787 0.391603 Hf\n0.447816 0.195830 0.804170 Hf\n0.447800 0.608397 0.804213 Hf\n0.052200 0.195787 0.391603 Hf\n0.052184 0.195830 0.804170 Hf\n0.052200 0.608397 0.804213 Hf\n0.947800 0.804213 0.608397 Hf\n0.947816 0.804170 0.195830 Hf\n0.947800 0.391603 0.195787 Hf\n0.750000 0.457263 0.914503 Hf\n0.750000 0.457229 0.542771 Hf\n0.750000 0.085497 0.542737 Hf\n0.250000 0.542737 0.085497 Hf\n0.250000 0.542771 0.457229 Hf\n0.250000 0.914503 0.457263 Hf\n0.750000 0.109847 0.219660 Re\n0.750000 0.109875 0.890125 Re\n0.750000 0.780340 0.890153 Re\n0.250000 0.890153 0.780340 Re\n0.250000 0.890125 0.109875 Re\n0.250000 0.219660 0.109847 Re\n0.500000 0.000000 0.000000 Re\n0.000000 0.000000 0.000000 Re\n0.750000 0.666701 0.333299 S\n0.250000 0.333299 0.666701 S\n","nsites":28,"nelements":3,"elements":["Hf","Re","S"],"chemical_system":"Hf-Re-S","density":14.572864728062624,"density_atomic":0.05155189238582934,"volume":543.1420400717759,"volume_molar":11.681706492806411,"formula_full":"Hf18 Re8 S2","formula_reduced":"Hf9Re4S","formula_anonymous":"AB4C9","energy":-300.25079695,"energy_per_atom":-10.723242748214286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-299.24479695,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0221882,"is_theoretical":false,"updated_at":"2021-11-28T01:36:32.347000Z","spacegroup":194},{"id":"mp-1183039","created_at":"2022-09-04T14:48:30.538220Z","structure_string":"Zr1 Ta1 Tc2\n1.0\n0.000000 3.239549 3.239549\n3.239549 0.000000 3.239549\n3.239549 3.239549 0.000000\nZr Ta Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Ta\n0.250000 0.250000 0.250000 Tc\n0.750000 0.750000 0.750000 Tc\n","nsites":4,"nelements":3,"elements":["Zr","Ta","Tc"],"chemical_system":"Ta-Tc-Zr","density":11.433278089889834,"density_atomic":0.05882695050316527,"volume":67.99604544833196,"volume_molar":10.237043920330308,"formula_full":"Zr1 Ta1 Tc2","formula_reduced":"ZrTaTc2","formula_anonymous":"ABC2","energy":-42.89279515,"energy_per_atom":-10.7231987875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.89279515,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011679,"is_theoretical":true,"updated_at":"2021-11-28T01:39:50.159000Z","spacegroup":225},{"id":"mp-1217933","created_at":"2022-09-04T14:39:44.368889Z","structure_string":"Ta1 Nb1 C1 N1\n1.0\n5.271553 -1.582452 0.000000\n5.271553 1.582452 0.000000\n4.796521 0.000000 2.699410\nTa Nb C N\n1 1 1 1\ndirect\n0.744098 0.744098 0.744098 Ta\n0.257549 0.257549 0.257549 Nb\n0.002283 0.002283 0.002283 C\n0.496069 0.496069 0.496069 N\n","nsites":4,"nelements":4,"elements":["Ta","Nb","C","N"],"chemical_system":"C-N-Nb-Ta","density":11.056471488992775,"density_atomic":0.08881616574057204,"volume":45.036846239048614,"volume_molar":6.780455685950684,"formula_full":"Ta1 Nb1 C1 N1","formula_reduced":"TaNbCN","formula_anonymous":"ABCD","energy":-42.89081283,"energy_per_atom":-10.7227032075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.52981283,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0034785,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.293000Z","spacegroup":160},{"id":"mp-570684","created_at":"2022-09-04T14:40:27.690344Z","structure_string":"Zr4 Os8\n1.0\n2.621491 -4.540556 0.000000\n2.621491 4.540556 0.000000\n0.000000 0.000000 8.611421\nZr Os\n4 8\ndirect\n0.333333 0.666667 0.433280 Zr\n0.666667 0.333333 0.566720 Zr\n0.666667 0.333333 0.933280 Zr\n0.333333 0.666667 0.066720 Zr\n0.000000 0.000000 0.500000 Os\n0.000000 0.000000 0.000000 Os\n0.827422 0.172578 0.250000 Os\n0.827422 0.654844 0.250000 Os\n0.345156 0.172578 0.250000 Os\n0.172578 0.827422 0.750000 Os\n0.172578 0.345156 0.750000 Os\n0.654844 0.827422 0.750000 Os\n","nsites":12,"nelements":2,"elements":["Zr","Os"],"chemical_system":"Os-Zr","density":15.282626832967399,"density_atomic":0.058535458062487424,"volume":205.00394798636123,"volume_molar":10.288021926079882,"formula_full":"Zr4 Os8","formula_reduced":"ZrOs2","formula_anonymous":"AB2","energy":-128.66333862,"energy_per_atom":-10.721944885,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-128.66333862,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0213622,"is_theoretical":false,"updated_at":"2021-11-28T01:34:47.319000Z","spacegroup":194},{"id":"mp-684907","created_at":"2022-09-04T14:43:35.864245Z","structure_string":"U12 O19\n1.0\n1.925043 -3.334272 0.000000\n1.925043 3.334272 0.000000\n0.000000 0.000000 37.028007\nU O\n12 19\ndirect\n0.666667 0.333333 0.000426 U\n0.333333 0.666667 0.915635 U\n0.000000 0.000000 0.833515 U\n0.666667 0.333333 0.751451 U\n0.333333 0.666667 0.665925 U\n0.666667 0.333333 0.498969 U\n0.000000 0.000000 0.584074 U\n0.333333 0.666667 0.416584 U\n0.000000 0.000000 0.334421 U\n0.666667 0.333333 0.249502 U\n0.000000 0.000000 0.082148 U\n0.333333 0.666667 0.167593 U\n0.333333 0.666667 0.975207 O\n0.000000 0.000000 0.900799 O\n0.666667 0.333333 0.812477 O\n0.333333 0.666667 0.854346 O\n0.000000 0.000000 0.645584 O\n0.000000 0.000000 0.765962 O\n0.666667 0.333333 0.558490 O\n0.666667 0.333333 0.691139 O\n0.333333 0.666667 0.484258 O\n0.333333 0.666667 0.604428 O\n0.000000 0.000000 0.395777 O\n0.666667 0.333333 0.437722 O\n0.333333 0.666667 0.349170 O\n0.333333 0.666667 0.229315 O\n0.000000 0.000000 0.274977 O\n0.666667 0.333333 0.183478 O\n0.666667 0.333333 0.062065 O\n0.333333 0.666667 0.107894 O\n0.000000 0.000000 0.020835 O\n","nsites":31,"nelements":2,"elements":["U","O"],"chemical_system":"O-U","density":11.04029039148847,"density_atomic":0.0652168623711717,"volume":475.33718846466866,"volume_molar":9.234024056118978,"formula_full":"U12 O19","formula_reduced":"U12O19","formula_anonymous":"A12B19","energy":-332.37654831,"energy_per_atom":-10.721824139032258,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-319.32354831,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":21.2847774,"is_theoretical":true,"updated_at":"2021-11-28T01:36:16.804000Z","spacegroup":156},{"id":"mp-779260","created_at":"2022-09-04T14:44:20.533340Z","structure_string":"Gd6 Sb2 O14\n1.0\n-6.512968 0.000000 0.000000\n0.910719 6.488683 0.000000\n-0.020502 -2.240327 -7.330456\nGd Sb O\n6 2 14\ndirect\n0.736971 0.466489 0.117932 Gd\n0.739614 0.476517 0.615944 Gd\n0.539632 0.995894 0.748299 Gd\n0.460368 0.004106 0.251701 Gd\n0.260386 0.523483 0.384056 Gd\n0.263029 0.533511 0.882068 Gd\n0.000000 0.000000 0.000000 Sb\n0.000000 0.000000 0.500000 Sb\n0.712274 0.060837 0.483967 O\n0.924038 0.681519 0.955440 O\n0.711335 0.067338 0.046266 O\n0.930772 0.671377 0.388742 O\n0.903611 0.931684 0.732460 O\n0.560157 0.355002 0.834187 O\n0.548542 0.362174 0.344655 O\n0.451458 0.637826 0.655345 O\n0.439843 0.644998 0.165813 O\n0.096389 0.068316 0.267540 O\n0.069228 0.328623 0.611258 O\n0.288665 0.932662 0.953734 O\n0.075962 0.318481 0.044560 O\n0.287726 0.939163 0.516033 O\n","nsites":22,"nelements":3,"elements":["Gd","Sb","O"],"chemical_system":"Gd-O-Sb","density":7.563332414234236,"density_atomic":0.07101599685193569,"volume":309.7893569792275,"volume_molar":8.479977789449075,"formula_full":"Gd6 Sb2 O14","formula_reduced":"Gd3SbO7","formula_anonymous":"AB3C7","energy":-235.87105577,"energy_per_atom":-10.721411625909091,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-226.25305577,"band_gap":2.5327,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":41.9983544,"is_theoretical":true,"updated_at":"2021-11-28T01:36:34.258000Z","spacegroup":2},{"id":"mp-1105571","created_at":"2022-09-04T14:47:14.956296Z","structure_string":"U4 Re4 C8\n1.0\n3.197941 0.000000 0.000000\n0.000000 5.597839 0.000000\n0.000000 0.000000 11.008868\nU Re C\n4 4 8\ndirect\n0.250000 0.083029 0.858543 U\n0.250000 0.583029 0.641457 U\n0.750000 0.916971 0.141457 U\n0.750000 0.416971 0.358543 U\n0.250000 0.419243 0.103867 Re\n0.250000 0.919243 0.396133 Re\n0.750000 0.580757 0.896133 Re\n0.750000 0.080757 0.603867 Re\n0.250000 0.160251 0.243738 C\n0.250000 0.660251 0.256262 C\n0.750000 0.839749 0.756262 C\n0.750000 0.339749 0.743738 C\n0.250000 0.743983 0.993425 C\n0.250000 0.243983 0.506575 C\n0.750000 0.256017 0.006575 C\n0.750000 0.756017 0.493425 C\n","nsites":16,"nelements":3,"elements":["U","Re","C"],"chemical_system":"C-Re-U","density":15.107860094646782,"density_atomic":0.08118699512455574,"volume":197.07589836836635,"volume_molar":7.417617502360978,"formula_full":"U4 Re4 C8","formula_reduced":"UReC2","formula_anonymous":"ABC2","energy":-171.53338544,"energy_per_atom":-10.72083659,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-171.53338544,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9526704,"is_theoretical":false,"updated_at":"2021-11-28T01:38:02.815000Z","spacegroup":62},{"id":"mp-2363","created_at":"2022-09-04T14:39:47.848357Z","structure_string":"Hf2 Mo4\n1.0\n0.000000 3.792497 3.792497\n3.792497 0.000000 3.792497\n3.792497 3.792497 0.000000\nHf Mo\n2 4\ndirect\n0.500000 0.500000 0.500000 Hf\n0.750000 0.750000 0.750000 Hf\n0.125000 0.125000 0.125000 Mo\n0.625000 0.125000 0.125000 Mo\n0.125000 0.625000 0.125000 Mo\n0.125000 0.125000 0.625000 Mo\n","nsites":6,"nelements":2,"elements":["Hf","Mo"],"chemical_system":"Hf-Mo","density":11.274808163534127,"density_atomic":0.054997825277099024,"volume":109.0952227614423,"volume_molar":10.949779795216022,"formula_full":"Hf2 Mo4","formula_reduced":"HfMo2","formula_anonymous":"AB2","energy":-64.32233909,"energy_per_atom":-10.720389848333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-64.32233909,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.53e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:29.610000Z","spacegroup":227},{"id":"mp-1193862","created_at":"2022-09-04T14:42:46.844962Z","structure_string":"Hf18 Re8 Si2\n1.0\n4.280187 -7.413502 0.000000\n4.280187 7.413502 0.000000\n0.000000 0.000000 8.699443\nHf Re Si\n18 8 2\ndirect\n0.195501 0.804499 0.453021 Hf\n0.195501 0.391002 0.453021 Hf\n0.608998 0.804499 0.453021 Hf\n0.804499 0.195501 0.546979 Hf\n0.804499 0.608998 0.546979 Hf\n0.391002 0.195501 0.546979 Hf\n0.804499 0.195501 0.953021 Hf\n0.804499 0.608998 0.953021 Hf\n0.391002 0.195501 0.953021 Hf\n0.195501 0.804499 0.046979 Hf\n0.195501 0.391002 0.046979 Hf\n0.608998 0.804499 0.046979 Hf\n0.539434 0.460566 0.250000 Hf\n0.539434 0.078867 0.250000 Hf\n0.921133 0.460566 0.250000 Hf\n0.460566 0.539434 0.750000 Hf\n0.460566 0.921133 0.750000 Hf\n0.078867 0.539434 0.750000 Hf\n0.890904 0.109096 0.250000 Re\n0.890904 0.781807 0.250000 Re\n0.218193 0.109096 0.250000 Re\n0.109096 0.890904 0.750000 Re\n0.109096 0.218193 0.750000 Re\n0.781807 0.890904 0.750000 Re\n0.000000 0.000000 0.500000 Re\n0.000000 0.000000 0.000000 Re\n0.333333 0.666667 0.250000 Si\n0.666667 0.333333 0.750000 Si\n","nsites":28,"nelements":3,"elements":["Hf","Re","Si"],"chemical_system":"Hf-Re-Si","density":14.312812827609218,"density_atomic":0.05071663561884554,"volume":552.0870944679859,"volume_molar":11.874093552377245,"formula_full":"Hf18 Re8 Si2","formula_reduced":"Hf9Re4Si","formula_anonymous":"AB4C9","energy":-300.16037627000003,"energy_per_atom":-10.720013438214286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-300.30237627,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.008176,"is_theoretical":false,"updated_at":"2021-11-28T01:35:49.545000Z","spacegroup":194},{"id":"mp-1193767","created_at":"2022-09-04T14:42:07.813473Z","structure_string":"Hf18 W8 S2\n1.0\n4.350273 -7.534894 0.000000\n4.350273 7.534894 0.000000\n0.000000 0.000000 8.590053\nHf W S\n18 8 2\ndirect\n0.196476 0.803524 0.448791 Hf\n0.196476 0.392953 0.448791 Hf\n0.607047 0.803524 0.448791 Hf\n0.803524 0.196476 0.551209 Hf\n0.803524 0.607047 0.551209 Hf\n0.392953 0.196476 0.551209 Hf\n0.803524 0.196476 0.948791 Hf\n0.803524 0.607047 0.948791 Hf\n0.392953 0.196476 0.948791 Hf\n0.196476 0.803524 0.051209 Hf\n0.196476 0.392953 0.051209 Hf\n0.607047 0.803524 0.051209 Hf\n0.541913 0.458087 0.250000 Hf\n0.541913 0.083827 0.250000 Hf\n0.916173 0.458087 0.250000 Hf\n0.458087 0.541913 0.750000 Hf\n0.458087 0.916173 0.750000 Hf\n0.083827 0.541913 0.750000 Hf\n0.889306 0.110694 0.250000 W\n0.889306 0.778612 0.250000 W\n0.221388 0.110694 0.250000 W\n0.110694 0.889306 0.750000 W\n0.110694 0.221388 0.750000 W\n0.778612 0.889306 0.750000 W\n0.000000 0.000000 0.500000 W\n0.000000 0.000000 0.000000 W\n0.333333 0.666667 0.250000 S\n0.666667 0.333333 0.750000 S\n","nsites":28,"nelements":3,"elements":["Hf","W","S"],"chemical_system":"Hf-S-W","density":13.999422606666325,"density_atomic":0.04972084872591707,"volume":563.1440475674133,"volume_molar":12.111902580739637,"formula_full":"Hf18 W8 S2","formula_reduced":"Hf9W4S","formula_anonymous":"AB4C9","energy":-300.15110563,"energy_per_atom":-10.719682343928572,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-299.14510563,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0207139,"is_theoretical":false,"updated_at":"2021-11-28T01:35:43.502000Z","spacegroup":194}]}