{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=updated_at&page=3595","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=updated_at&page=3593","results":[{"id":"jvasp-34433","created_at":"2022-09-04T14:38:14.382832Z","updated_at":"2022-09-04T14:38:14.382850Z","structure_string":"Li3 Mn3 Fe3 F18\n1.0\n4.284180 -7.420418 -0.000000\n4.284180 7.420418 0.000000\n0.000000 0.000000 4.644262\nLi Mn Fe F\n3 3 3 18\ndirect\n-0.000000 0.701889 0.500000 Li\n0.701889 -0.000000 0.500000 Li\n0.298111 0.298111 0.500000 Li\n0.361803 -0.000000 0.000000 Mn\n0.638197 0.638197 0.000000 Mn\n-0.000000 0.361803 0.000000 Mn\n0.333333 0.666667 0.502680 Fe\n0.000000 0.000000 0.000000 Fe\n0.666667 0.333333 0.497319 Fe\n0.419955 0.543862 0.731389 F\n0.455641 0.220767 0.724267 F\n0.220767 0.455641 0.275733 F\n0.234874 0.779233 0.275733 F\n0.544359 0.765126 0.275733 F\n0.456138 0.876093 0.731389 F\n0.123907 0.580045 0.731389 F\n0.543862 0.419955 0.268611 F\n0.100516 0.212621 0.776143 F\n0.580045 0.123907 0.268611 F\n0.112105 0.899484 0.776143 F\n0.765126 0.544359 0.724267 F\n0.787378 0.887894 0.776143 F\n0.899484 0.112105 0.223856 F\n0.887894 0.787378 0.223856 F\n0.212621 0.100516 0.223856 F\n0.876093 0.456138 0.268611 F\n0.779233 0.234874 0.724267 F\n","nsites":27,"nelements":4,"elements":["Li","Mn","Fe","F"],"chemical_system":"F-Fe-Li-Mn","density":3.909135364401023,"density_atomic":0.09143679119625292,"volume":295.28595269763207,"volume_molar":6.5861243392438595,"formula_full":"Li3 Mn3 Fe3 F18","formula_reduced":"LiMnFeF6","formula_anonymous":"ABCD6","energy_above_hull":0.7111949373754787,"spacegroup":150},{"id":"jvasp-55277","created_at":"2022-09-04T14:38:14.384989Z","updated_at":"2022-09-04T14:38:14.385009Z","structure_string":"Ca4 Y8 S16\n1.0\n3.891924 0.000000 0.000000\n0.000000 12.963118 0.000000\n0.000000 0.000000 13.099409\nCa Y S\n4 8 16\ndirect\n0.749999 0.630375 0.417872 Ca\n0.250000 0.369625 0.582128 Ca\n0.749999 0.130375 0.082128 Ca\n0.250000 0.869625 0.917872 Ca\n0.749999 0.854018 0.203000 Y\n0.250000 0.145982 0.797000 Y\n0.250000 0.645982 0.703000 Y\n0.749999 0.354018 0.297000 Y\n0.749999 0.392132 0.916210 Y\n0.250000 0.107868 0.416210 Y\n0.749999 0.892132 0.583790 Y\n0.250000 0.607868 0.083790 Y\n0.250000 0.533967 0.882492 S\n0.250000 0.217582 0.236092 S\n0.749999 0.782418 0.763908 S\n0.749999 0.966033 0.382492 S\n0.250000 0.033967 0.617508 S\n0.749999 0.466033 0.117508 S\n0.250000 0.756332 0.524885 S\n0.749999 0.028397 0.882704 S\n0.250000 0.256332 0.975115 S\n0.749999 0.743668 0.024885 S\n0.749999 0.528397 0.617296 S\n0.250000 0.471603 0.382704 S\n0.749999 0.282418 0.736092 S\n0.250000 0.971603 0.117296 S\n0.749999 0.243668 0.475115 S\n0.250000 0.717582 0.263908 S\n","nsites":28,"nelements":3,"elements":["Ca","Y","S"],"chemical_system":"Ca-S-Y","density":3.4789446633768195,"density_atomic":0.04236746738894268,"volume":660.8844409545143,"volume_molar":14.214068319721406,"formula_full":"Ca4 Y8 S16","formula_reduced":"Ca(YS2)2","formula_anonymous":"AB2C4","energy_above_hull":1.782681617142857,"spacegroup":62},{"id":"jvasp-17742","created_at":"2022-09-04T14:38:14.396268Z","updated_at":"2022-09-04T14:38:14.396298Z","structure_string":"Ho3 Mg3 In3\n1.0\n3.734198 -6.467821 0.000000\n3.734198 6.467821 0.000000\n0.000000 -0.000000 4.633184\nHo Mg In\n3 3 3\ndirect\n0.000000 0.566046 0.000000 Ho\n0.433954 0.433954 0.000000 Ho\n0.566046 0.000000 0.000000 Ho\n0.757653 0.757653 0.500000 Mg\n0.242347 0.000000 0.500000 Mg\n0.000000 0.242347 0.500000 Mg\n0.666667 0.333333 0.500000 In\n0.000000 0.000000 0.000000 In\n0.333333 0.666667 0.500000 In\n","nsites":9,"nelements":3,"elements":["Ho","Mg","In"],"chemical_system":"Ho-In-Mg","density":6.767920123299002,"density_atomic":0.04021403316598684,"volume":223.8024712132637,"volume_molar":14.975222045356912,"formula_full":"Ho3 Mg3 In3","formula_reduced":"HoMgIn","formula_anonymous":"ABC","energy_above_hull":0.0,"spacegroup":189},{"id":"jvasp-110315","created_at":"2022-09-04T14:38:14.402525Z","updated_at":"2022-09-04T14:38:14.402551Z","structure_string":"La2 Fe2 P2 O2\n1.0\n3.930944 -0.000000 0.000000\n0.000000 3.930944 0.000000\n-0.000000 -0.000000 8.451415\nLa Fe P O\n2 2 2 2\ndirect\n0.499999 0.000000 0.152416 La\n-0.000000 0.499999 0.847583 La\n0.000000 0.000000 0.500000 Fe\n0.499999 0.499999 0.500000 Fe\n0.499999 0.000000 0.625627 P\n-0.000000 0.499999 0.374373 P\n0.000000 0.000000 0.000000 O\n0.499999 0.499999 -0.000000 O\n","nsites":8,"nelements":4,"elements":["La","Fe","P","O"],"chemical_system":"Fe-La-O-P","density":6.147167717424109,"density_atomic":0.061258568682186446,"volume":130.59397521193378,"volume_molar":9.830691264177702,"formula_full":"La2 Fe2 P2 O2","formula_reduced":"LaFePO","formula_anonymous":"ABCD","energy_above_hull":2.1410448750000004,"spacegroup":129},{"id":"jvasp-17845","created_at":"2022-09-04T14:38:14.406018Z","updated_at":"2022-09-04T14:38:14.406043Z","structure_string":"Pt3 Pb1\n1.0\n4.136824 0.000000 -0.000000\n0.000000 4.136824 -0.000000\n-0.000000 0.000000 4.136824\nPt Pb\n3 1\ndirect\n0.500000 0.000000 0.500000 Pt\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.000000 0.000000 0.000000 Pb\n","nsites":4,"nelements":2,"elements":["Pt","Pb"],"chemical_system":"Pb-Pt","density":18.58749780423872,"density_atomic":0.056501354374523305,"volume":70.79476313940567,"volume_molar":10.658400717409013,"formula_full":"Pt3 Pb1","formula_reduced":"Pt3Pb","formula_anonymous":"AB3","energy_above_hull":2.0080137550000003,"spacegroup":221},{"id":"jvasp-54740","created_at":"2022-09-04T14:38:14.406438Z","updated_at":"2022-09-04T14:38:14.406470Z","structure_string":"Ba2 H8 O12\n1.0\n4.216038 3.183288 -0.497185\n-4.216038 3.183288 0.497185\n-0.006311 0.000000 8.148261\nBa H O\n2 8 12\ndirect\n0.787963 0.792104 0.768217 Ba\n0.207897 0.212038 0.268217 Ba\n0.269213 0.677866 0.562182 H\n0.673949 0.273463 0.974253 H\n0.726538 0.326052 0.474254 H\n0.322135 0.730787 0.062182 H\n0.363493 0.184161 0.653371 H\n0.815839 0.636508 0.153371 H\n0.180226 0.367719 0.883054 H\n0.632282 0.819774 0.383054 H\n0.453116 0.385805 0.966343 O\n0.381610 0.457036 0.570160 O\n0.011847 0.666460 0.202480 O\n0.662234 0.015764 0.333934 O\n-0.015764 0.337767 0.833933 O\n0.192879 0.845070 0.557054 O\n0.154930 0.807122 0.057054 O\n0.802906 0.158864 0.479352 O\n0.841136 0.197094 0.979352 O\n0.614196 0.546885 0.466343 O\n0.333541 0.988154 0.702480 O\n0.542964 0.618391 0.070160 O\n","nsites":22,"nelements":3,"elements":["Ba","H","O"],"chemical_system":"Ba-H-O","density":3.604475381590027,"density_atomic":0.10059745039261138,"volume":218.6934153314868,"volume_molar":5.986375138233434,"formula_full":"Ba2 H8 O12","formula_reduced":"Ba(H2O3)2","formula_anonymous":"AB4C6","energy_above_hull":2.603897906363636,"spacegroup":15},{"id":"jvasp-34751","created_at":"2022-09-04T14:38:14.411727Z","updated_at":"2022-09-04T14:38:14.411759Z","structure_string":"Co4 N12\n1.0\n5.108212 -0.000000 -1.806026\n-2.554106 4.423841 -1.806026\n0.000000 0.000000 5.418077\nCo N\n4 12\ndirect\n0.500000 0.000000 -0.000000 Co\n-0.000000 -0.000000 0.500000 Co\n-0.000000 0.500000 -0.000001 Co\n0.499999 0.500000 0.499999 Co\n0.509773 0.884162 0.625611 N\n0.258549 0.884162 0.374387 N\n0.741450 0.115838 0.625612 N\n0.115838 0.374388 0.490226 N\n0.490226 0.115838 0.374388 N\n0.115837 0.625612 0.741450 N\n0.374388 0.258550 0.884162 N\n0.884161 0.625612 0.509773 N\n0.625611 0.741450 0.115837 N\n0.884161 0.374388 0.258549 N\n0.625611 0.509774 0.884161 N\n0.374387 0.490226 0.115837 N\n","nsites":16,"nelements":2,"elements":["Co","N"],"chemical_system":"Co-N","density":5.47666267376069,"density_atomic":0.13067917605986984,"volume":122.43725804231961,"volume_molar":4.6083400137455675,"formula_full":"Co4 N12","formula_reduced":"CoN3","formula_anonymous":"AB3","energy_above_hull":4.8085251625000005,"spacegroup":204},{"id":"jvasp-16505","created_at":"2022-09-04T14:38:14.414312Z","updated_at":"2022-09-04T14:38:14.414336Z","structure_string":"Er1 Hg2\n1.0\n2.460345 -4.261443 -0.000000\n2.460345 4.261443 0.000000\n-0.000000 -0.000000 3.360595\nEr Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.333332 0.666666 0.499999 Hg\n0.666666 0.333332 0.499999 Hg\n","nsites":3,"nelements":2,"elements":["Er","Hg"],"chemical_system":"Er-Hg","density":13.394734132912582,"density_atomic":0.042571836777060806,"volume":70.46912294882482,"volume_molar":14.14583258771898,"formula_full":"Er1 Hg2","formula_reduced":"ErHg2","formula_anonymous":"AB2","energy_above_hull":0.1931188888888888,"spacegroup":191},{"id":"jvasp-9804","created_at":"2022-09-04T14:38:14.420925Z","updated_at":"2022-09-04T14:38:14.420960Z","structure_string":"Zn2 Sn4 O8\n1.0\n5.808099 0.000000 -3.049327\n-1.600935 5.583103 -3.049327\n-0.268554 -0.356383 6.544534\nZn Sn O\n2 4 8\ndirect\n0.375001 0.625000 0.750000 Zn\n0.625001 0.375000 0.250000 Zn\n0.000000 0.000000 0.500000 Sn\n0.000000 0.500000 -0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.753939 0.761848 0.507875 O\n0.753976 0.246063 0.992124 O\n0.238153 0.246063 0.992124 O\n0.246063 0.238152 0.492124 O\n0.246063 0.753975 0.492124 O\n0.246026 0.753938 0.007875 O\n0.753939 0.246026 0.507875 O\n0.761849 0.753938 0.007875 O\n","nsites":14,"nelements":3,"elements":["Zn","Sn","O"],"chemical_system":"O-Sn-Zn","density":6.103587023990713,"density_atomic":0.07014121153825464,"volume":199.59735072959887,"volume_molar":8.585738152976665,"formula_full":"Zn2 Sn4 O8","formula_reduced":"Zn(SnO2)2","formula_anonymous":"AB2C4","energy_above_hull":1.2626096857142857,"spacegroup":227},{"id":"jvasp-10260","created_at":"2022-09-04T14:38:14.423148Z","updated_at":"2022-09-04T14:38:14.423175Z","structure_string":"Li8 Pt1 O6\n1.0\n4.816206 0.002611 3.425010\n1.768496 4.479763 3.425010\n0.003837 0.002611 5.909866\nLi Pt O\n8 1 6\ndirect\n0.343080 0.343079 0.343079 Li\n0.514303 0.900371 0.232274 Li\n0.232276 0.514301 0.900372 Li\n0.900374 0.232274 0.514301 Li\n0.485700 0.099628 0.767726 Li\n0.767727 0.485698 0.099628 Li\n0.656922 0.656920 0.656920 Li\n0.099629 0.767725 0.485699 Li\n0.000000 0.000000 0.000000 Pt\n0.237508 0.906663 0.613502 O\n0.093338 0.386498 0.762493 O\n0.762494 0.093336 0.386498 O\n0.613503 0.237506 0.906663 O\n0.906665 0.613501 0.237506 O\n0.386499 0.762493 0.093336 O\n","nsites":15,"nelements":3,"elements":["Li","Pt","O"],"chemical_system":"Li-O-Pt","density":4.517901990236191,"density_atomic":0.11774429760425079,"volume":127.39470450124348,"volume_molar":5.114592283900626,"formula_full":"Li8 Pt1 O6","formula_reduced":"Li8PtO6","formula_anonymous":"AB6C8","energy_above_hull":1.7521421600000002,"spacegroup":148},{"id":"jvasp-10851","created_at":"2022-09-04T14:38:14.425873Z","updated_at":"2022-09-04T14:38:14.425898Z","structure_string":"Mg2 Cr4 O8\n1.0\n5.863870 -0.076401 0.065317\n2.865771 5.116461 0.065317\n2.963211 1.710811 4.838905\nMg Cr O\n2 4 8\ndirect\n-0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.129424 0.129424 0.120576 Cr\n0.500000 0.500000 0.000001 Cr\n0.500000 0.500000 0.500000 Cr\n0.870575 0.870575 0.879425 Cr\n0.256396 0.256396 0.255967 O\n0.256396 0.256396 0.731240 O\n0.277681 0.730802 0.245759 O\n0.730802 0.277681 0.245759 O\n0.269198 0.722318 0.754241 O\n0.722318 0.269198 0.754241 O\n0.743603 0.743603 0.268760 O\n0.743603 0.743604 0.744033 O\n","nsites":14,"nelements":3,"elements":["Mg","Cr","O"],"chemical_system":"Cr-Mg-O","density":4.407434049330677,"density_atomic":0.09662004261821418,"volume":144.89747282890156,"volume_molar":6.232806979599434,"formula_full":"Mg2 Cr4 O8","formula_reduced":"MgCr2O4","formula_anonymous":"AB2C4","energy_above_hull":2.6741696928571432,"spacegroup":74},{"id":"jvasp-17832","created_at":"2022-09-04T14:38:14.427060Z","updated_at":"2022-09-04T14:38:14.427085Z","structure_string":"U1 Co2 Ge2\n1.0\n3.740730 0.000000 -1.411277\n-0.532437 3.702644 -1.411277\n0.010625 0.012261 5.691389\nU Co Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.249999 0.749999 0.499999 Co\n0.749999 0.250000 0.499999 Co\n0.627163 0.627164 0.254328 Ge\n0.372834 0.372835 0.745671 Ge\n","nsites":5,"nelements":3,"elements":["U","Co","Ge"],"chemical_system":"Co-Ge-U","density":10.539973142822237,"density_atomic":0.06332435167358615,"volume":78.95856598379672,"volume_molar":9.509991971243434,"formula_full":"U1 Co2 Ge2","formula_reduced":"U(CoGe)2","formula_anonymous":"AB2C2","energy_above_hull":2.95213994,"spacegroup":139}]}