{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-density&page=3537","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-density&page=3535","results":[{"id":"jvasp-46790","created_at":"2022-09-04T14:38:07.149167Z","updated_at":"2022-09-04T14:38:07.149195Z","structure_string":"Li4 Ti2 Cr4 O12\n1.0\n5.090984 0.003029 0.000000\n-2.555784 4.402964 -0.000000\n0.000000 0.000000 9.987324\nLi Ti Cr O\n4 2 4 12\ndirect\n0.147994 0.647993 0.750000 Li\n0.352006 0.852005 0.250000 Li\n0.647994 0.147994 0.750000 Li\n0.852005 0.352006 0.250000 Li\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.163623 0.836376 0.500000 Cr\n0.336377 0.663622 0.000000 Cr\n0.663622 0.336377 0.000000 Cr\n0.836377 0.163623 0.500000 Cr\n0.505946 0.165724 0.392588 O\n0.828949 0.828949 0.398959 O\n0.334276 0.994053 0.892588 O\n0.671051 0.671050 0.898959 O\n0.328949 0.328949 0.101041 O\n0.005946 0.665724 0.107412 O\n0.494054 0.834275 0.607412 O\n0.165724 0.505946 0.392588 O\n0.994053 0.334276 0.892588 O\n0.834275 0.494054 0.607412 O\n0.171051 0.171051 0.601041 O\n0.665724 0.005946 0.107412 O\n","nsites":22,"nelements":4,"elements":["Li","Ti","Cr","O"],"chemical_system":"Cr-Li-O-Ti","density":3.8814968635770883,"density_atomic":0.09823736646183573,"volume":223.94737147749973,"volume_molar":6.130193608497784,"formula_full":"Li4 Ti2 Cr4 O12","formula_reduced":"Li2TiCr2O6","formula_anonymous":"AB2C2D6","energy_above_hull":2.996172193939393,"spacegroup":64},{"id":"jvasp-22743","created_at":"2022-09-04T14:37:31.026984Z","updated_at":"2022-09-04T14:37:31.027011Z","structure_string":"Al12 Ru2\n1.0\n4.997211 0.010361 0.000000\n-0.650286 4.954731 -0.000000\n0.000000 -0.000000 9.084753\nAl Ru\n12 2\ndirect\n0.319141 0.680858 0.000000 Al\n0.680858 0.319142 0.500000 Al\n0.680858 0.319142 0.000000 Al\n0.319141 0.680858 0.500000 Al\n0.139769 0.139769 0.100021 Al\n0.860230 0.860230 0.600020 Al\n0.139769 0.139769 0.399979 Al\n0.860230 0.860230 0.899979 Al\n0.616788 0.976534 0.250000 Al\n0.383211 0.023466 0.750000 Al\n0.976533 0.616789 0.250000 Al\n0.023466 0.383211 0.750000 Al\n0.462175 0.462175 0.250000 Ru\n0.537824 0.537824 0.750000 Ru\n","nsites":14,"nelements":2,"elements":["Al","Ru"],"chemical_system":"Al-Ru","density":3.881400516650439,"density_atomic":0.062222718275156144,"volume":224.99820625145884,"volume_molar":9.678363348527121,"formula_full":"Al12 Ru2","formula_reduced":"Al6Ru","formula_anonymous":"AB6","energy_above_hull":2.3377539000000005,"spacegroup":63},{"id":"jvasp-91718","created_at":"2022-09-04T14:35:41.561341Z","updated_at":"2022-09-04T14:35:41.561369Z","structure_string":"Mg3 Ti1 O4\n1.0\n4.291799 -0.000000 0.000000\n0.000000 4.291799 0.000000\n-0.000000 0.000000 4.291799\nMg Ti O\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n","nsites":8,"nelements":3,"elements":["Mg","Ti","O"],"chemical_system":"Mg-O-Ti","density":3.881369576551405,"density_atomic":0.10119798479768011,"volume":79.05295758600317,"volume_molar":5.950850475965262,"formula_full":"Mg3 Ti1 O4","formula_reduced":"Mg3TiO4","formula_anonymous":"AB3C4","energy_above_hull":1.2464299354166668,"spacegroup":221},{"id":"jvasp-94112","created_at":"2022-09-04T14:36:19.745946Z","updated_at":"2022-09-04T14:36:19.745966Z","structure_string":"Mg6 Ni1 Bi1\n1.0\n6.723178 -0.282922 0.000000\n-3.606606 5.680982 0.000000\n0.000000 0.000000 4.759017\nMg Ni Bi\n6 1 1\ndirect\n0.171516 0.806059 0.250000 Mg\n0.693941 0.328484 0.250000 Mg\n0.671010 0.828989 0.250000 Mg\n0.328748 0.634382 0.750001 Mg\n0.865618 0.171252 0.750001 Mg\n0.828076 0.671924 0.750001 Mg\n0.106168 0.393831 0.250000 Ni\n0.334923 0.165077 0.750001 Bi\n","nsites":8,"nelements":3,"elements":["Mg","Ni","Bi"],"chemical_system":"Bi-Mg-Ni","density":3.881267973046313,"density_atomic":0.04522046388747515,"volume":176.91105557667188,"volume_molar":13.317290983536264,"formula_full":"Mg6 Ni1 Bi1","formula_reduced":"Mg6NiBi","formula_anonymous":"ABC6","energy_above_hull":0.0,"spacegroup":38},{"id":"jvasp-46894","created_at":"2022-09-04T14:38:06.995713Z","updated_at":"2022-09-04T14:38:06.995731Z","structure_string":"Li3 Co3 O1 F7\n1.0\n-0.135942 4.270167 4.270167\n4.134225 -0.000000 4.134225\n4.134225 4.134225 -0.000000\nLi Co O F\n3 3 1 7\ndirect\n0.017208 0.994265 0.994265 Li\n0.244563 0.251812 0.251812 Li\n0.106389 0.631205 0.631205 Li\n0.635732 0.603959 0.156350 Co\n0.635732 0.156350 0.603959 Co\n0.635732 0.603959 0.603959 Co\n0.873380 0.375541 0.375541 O\n0.359023 0.389752 0.389752 F\n0.359023 0.861475 0.389752 F\n0.359023 0.389752 0.861475 F\n0.867248 0.389367 0.871694 F\n0.867248 0.871694 0.389367 F\n0.867248 0.871694 0.871694 F\n0.422445 0.859186 0.859186 F\n","nsites":14,"nelements":4,"elements":["Li","Co","O","F"],"chemical_system":"Co-F-Li-O","density":3.881232156114496,"density_atomic":0.09440749170422998,"volume":148.29331599933528,"volume_molar":6.378880162251122,"formula_full":"Li3 Co3 O1 F7","formula_reduced":"Li3Co3OF7","formula_anonymous":"AB3C3D7","energy_above_hull":1.0175077269642858,"spacegroup":160},{"id":"jvasp-111099","created_at":"2022-09-04T14:38:37.050690Z","updated_at":"2022-09-04T14:38:37.050723Z","structure_string":"Ca1 Mg1 P2 Se6\n1.0\n5.873482 -0.116906 5.085376\n2.253175 5.425371 5.085376\n-0.178969 -0.116906 7.767033\nCa Mg P Se\n1 1 2 6\ndirect\n0.828929 0.828926 0.828929 Ca\n0.171292 0.171291 0.171292 Mg\n0.555197 0.555195 0.555197 P\n0.443591 0.443590 0.443591 P\n0.916625 0.272936 0.573782 Se\n0.573782 0.916624 0.272938 Se\n0.272938 0.573780 0.916625 Se\n0.110653 0.754797 0.372200 Se\n0.372200 0.110651 0.754798 Se\n0.754798 0.372199 0.110653 Se\n","nsites":10,"nelements":4,"elements":["Ca","Mg","P","Se"],"chemical_system":"Ca-Mg-P-Se","density":3.8811769391606257,"density_atomic":0.03894911336771659,"volume":256.74525388012074,"volume_molar":15.461560583280233,"formula_full":"Ca1 Mg1 P2 Se6","formula_reduced":"CaMg(PSe3)2","formula_anonymous":"ABC2D6","energy_above_hull":1.481390067,"spacegroup":146},{"id":"jvasp-39646","created_at":"2022-09-04T14:37:42.025075Z","updated_at":"2022-09-04T14:37:42.025095Z","structure_string":"Li2 Ce1 Al1\n1.0\n0.000108 3.382982 3.383017\n3.383033 0.000087 3.383039\n3.383004 3.382974 0.000116\nLi Ce Al\n2 1 1\ndirect\n-0.000001 -0.000000 -0.000000 Li\n0.500001 0.500001 0.499999 Li\n0.750001 0.750001 0.749997 Ce\n0.250000 0.249999 0.249999 Al\n","nsites":4,"nelements":3,"elements":["Li","Ce","Al"],"chemical_system":"Al-Ce-Li","density":3.881140839175874,"density_atomic":0.05165838443789417,"volume":77.43176724407563,"volume_molar":11.657625040984517,"formula_full":"Li2 Ce1 Al1","formula_reduced":"Li2CeAl","formula_anonymous":"ABC2","energy_above_hull":1.291899575,"spacegroup":225},{"id":"jvasp-89240","created_at":"2022-09-04T14:36:04.814433Z","updated_at":"2022-09-04T14:36:04.814453Z","structure_string":"Li4 Sc4 Ge4 O16\n1.0\n5.005243 -0.000000 0.000000\n-0.000000 6.015771 0.000000\n0.000000 0.000000 10.716130\nLi Sc Ge O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.995838 0.750000 0.728967 Sc\n0.495838 0.250000 0.771033 Sc\n0.004162 0.250000 0.271033 Sc\n0.504162 0.750000 0.228967 Sc\n0.949863 0.750000 0.411241 Ge\n0.449863 0.250000 0.088759 Ge\n0.050137 0.250000 0.588759 Ge\n0.550136 0.750000 0.911241 Ge\n0.783604 0.972010 0.327423 O\n0.283605 0.027990 0.172577 O\n0.783604 0.527990 0.327423 O\n0.283605 0.472010 0.172577 O\n0.216395 0.027990 0.672577 O\n0.716395 0.972010 0.827423 O\n0.704677 0.750000 0.059696 O\n0.700790 0.250000 0.594907 O\n0.295322 0.250000 0.940304 O\n0.795322 0.750000 0.559696 O\n0.299210 0.750000 0.405093 O\n0.799209 0.250000 0.094907 O\n0.716395 0.527990 0.827423 O\n0.200790 0.750000 0.905093 O\n0.204678 0.250000 0.440304 O\n0.216395 0.472010 0.672577 O\n","nsites":28,"nelements":4,"elements":["Li","Sc","Ge","O"],"chemical_system":"Ge-Li-O-Sc","density":3.8810167200127528,"density_atomic":0.08677679284276094,"volume":322.6669145371141,"volume_molar":6.939805635490685,"formula_full":"Li4 Sc4 Ge4 O16","formula_reduced":"LiScGeO4","formula_anonymous":"ABCD4","energy_above_hull":1.8601964571428569,"spacegroup":62},{"id":"jvasp-25704","created_at":"2022-09-04T14:36:38.487051Z","updated_at":"2022-09-04T14:36:38.487079Z","structure_string":"Nb1 V1 F6\n1.0\n4.703919 0.149454 3.131815\n1.754331 4.367093 3.131816\n0.213705 0.149452 5.647075\nNb V F\n1 1 6\ndirect\n0.500000 0.499999 0.500001 Nb\n0.000000 0.000000 0.000000 V\n0.885679 0.248200 0.619769 F\n0.248201 0.619767 0.885680 F\n0.380231 0.114320 0.751799 F\n0.751799 0.380231 0.114322 F\n0.114321 0.751798 0.380233 F\n0.619769 0.885678 0.248203 F\n","nsites":8,"nelements":3,"elements":["Nb","V","F"],"chemical_system":"F-Nb-V","density":3.8809604738142163,"density_atomic":0.07251580649701171,"volume":110.32077537922261,"volume_molar":8.304590476075262,"formula_full":"Nb1 V1 F6","formula_reduced":"NbVF6","formula_anonymous":"ABC6","energy_above_hull":0.9411681618750002,"spacegroup":148},{"id":"jvasp-99664","created_at":"2022-09-04T14:36:31.250604Z","updated_at":"2022-09-04T14:36:31.250620Z","structure_string":"Na3 Al1 Si1 Te4\n1.0\n4.124676 0.255482 1.306255\n1.687279 9.072475 7.218391\n1.367083 2.454013 9.537767\nNa Al Si Te\n3 1 1 4\ndirect\n0.042667 0.577773 0.073955 Na\n0.246325 0.281222 0.666148 Na\n0.541616 0.801448 0.351710 Na\n0.527086 0.922803 0.744842 Al\n0.797868 0.315912 0.080426 Si\n0.299546 0.719166 0.175947 Te\n0.018054 0.151092 0.525801 Te\n0.488388 0.264460 -0.059084 Te\n0.788455 0.716125 0.690253 Te\n","nsites":9,"nelements":4,"elements":["Na","Al","Si","Te"],"chemical_system":"Al-Na-Si-Te","density":3.8808114709498565,"density_atomic":0.0331533868957371,"volume":271.46547736747914,"volume_molar":18.16448129097282,"formula_full":"Na3 Al1 Si1 Te4","formula_reduced":"Na3AlSiTe4","formula_anonymous":"ABC3D4","energy_above_hull":0.7723977185185186,"spacegroup":6},{"id":"jvasp-11807","created_at":"2022-09-04T14:38:03.298444Z","updated_at":"2022-09-04T14:38:03.298478Z","structure_string":"Co2 S2 O8\n1.0\n4.730104 0.018998 -0.000000\n-1.836714 4.358983 0.000000\n0.000000 0.000000 6.422388\nCo S O\n2 2 8\ndirect\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.648201 0.351799 0.250000 S\n0.351799 0.648201 0.750000 S\n0.230568 0.303313 0.750000 O\n0.769431 0.696687 0.250000 O\n0.303313 0.230568 0.250000 O\n0.696687 0.769431 0.750000 O\n0.250414 0.749586 0.941644 O\n0.749586 0.250414 0.441644 O\n0.749586 0.250414 0.058356 O\n0.250414 0.749586 0.558356 O\n","nsites":12,"nelements":3,"elements":["Co","S","O"],"chemical_system":"Co-O-S","density":3.880719404366096,"density_atomic":0.09046789370472501,"volume":132.6437425322002,"volume_molar":6.656660737184238,"formula_full":"Co2 S2 O8","formula_reduced":"CoSO4","formula_anonymous":"ABC4","energy_above_hull":2.543750816666667,"spacegroup":63},{"id":"jvasp-67458","created_at":"2022-09-04T14:36:01.200094Z","updated_at":"2022-09-04T14:36:01.200113Z","structure_string":"Be1 P1 Se1\n1.0\n1.456116 -2.522067 -0.000000\n1.456116 2.522067 0.000000\n-0.000000 0.000000 6.930066\nBe P Se\n1 1 1\ndirect\n0.000000 -0.000000 0.993967 Be\n0.666668 0.333334 0.755235 P\n0.333334 0.666668 0.250799 Se\n","nsites":3,"nelements":3,"elements":["Be","P","Se"],"chemical_system":"Be-P-Se","density":3.880420362087978,"density_atomic":0.0589388007291941,"volume":50.90025522887867,"volume_molar":10.217616723607778,"formula_full":"Be1 P1 Se1","formula_reduced":"BePSe","formula_anonymous":"ABC","energy_above_hull":1.9287916555555555,"spacegroup":156}]}