{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=3423","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=3421","results":[{"id":"jvasp-85949","created_at":"2022-09-04T14:35:45.612105Z","updated_at":"2022-09-04T14:35:45.612123Z","structure_string":"Li4 Te2 O6\n1.0\n5.121525 0.000000 0.446523\n2.560762 4.771875 0.223262\n-0.093330 0.000000 13.603154\nLi Te O\n4 2 6\ndirect\n0.639294 0.314499 0.067891 Li\n0.953793 0.685500 0.067891 Li\n0.046207 0.314499 0.932109 Li\n0.360705 0.685500 0.932109 Li\n0.269415 0.000000 0.161175 Te\n0.730585 0.000000 0.838825 Te\n0.367823 0.000000 0.863877 O\n0.632176 0.000000 0.136123 O\n0.028076 0.299809 0.080522 O\n0.672114 0.299809 0.919477 O\n0.327885 0.700190 0.080522 O\n0.971923 0.700190 0.919477 O\n","nsites":12,"nelements":3,"elements":["Li","Te","O"],"chemical_system":"Li-O-Te","density":1.891713015677741,"density_atomic":0.03607393931990466,"volume":332.6501132461215,"volume_molar":16.693881714984038,"formula_full":"Li4 Te2 O6","formula_reduced":"Li2TeO3","formula_anonymous":"AB2C3","energy_above_hull":1.4679480444444444,"spacegroup":12},{"id":"jvasp-30614","created_at":"2022-09-04T14:36:34.950867Z","updated_at":"2022-09-04T14:36:34.950893Z","structure_string":"Mg2 Cr2 F8\n1.0\n4.589915 0.086080 -1.938897\n-1.101609 5.041370 -2.384072\n0.330151 -0.197588 6.206386\nMg Cr F\n2 2 8\ndirect\n0.248058 0.179483 0.498995 Mg\n0.748065 0.822009 0.498997 Mg\n0.998075 0.500744 0.999000 Cr\n0.498064 0.000731 0.998995 Cr\n0.812716 0.498051 0.234410 F\n0.667850 0.209344 0.705427 F\n0.183462 0.503456 0.763604 F\n0.167851 0.998586 0.705437 F\n0.328284 0.792149 0.292558 F\n0.312697 0.238849 0.234401 F\n0.828282 0.002910 0.292569 F\n0.683451 0.762648 0.763607 F\n","nsites":12,"nelements":3,"elements":["Mg","Cr","F"],"chemical_system":"Cr-F-Mg","density":3.4935495069257287,"density_atomic":0.0828865815622951,"volume":144.77614800631096,"volume_molar":7.265519516538317,"formula_full":"Mg2 Cr2 F8","formula_reduced":"MgCrF4","formula_anonymous":"ABC4","energy_above_hull":0.1164162633333339,"spacegroup":15},{"id":"jvasp-11787","created_at":"2022-09-04T14:36:36.365993Z","updated_at":"2022-09-04T14:36:36.366010Z","structure_string":"Y2 V2 O8\n1.0\n5.740801 0.045673 -1.655375\n-3.239448 4.739710 -1.655375\n-0.023874 -0.045673 5.974654\nY V O\n2 2 8\ndirect\n0.125000 0.875000 0.250001 Y\n0.875000 0.125000 0.750000 Y\n0.625000 0.375000 0.250001 V\n0.375000 0.625000 0.750000 V\n0.734813 0.799561 0.935252 O\n0.799561 0.734812 0.435252 O\n0.799561 0.364309 0.064749 O\n0.364310 0.799561 0.564749 O\n0.200440 0.635691 0.935252 O\n0.635690 0.200439 0.435252 O\n0.265187 0.200439 0.064749 O\n0.200439 0.265188 0.564749 O\n","nsites":12,"nelements":3,"elements":["Y","V","O"],"chemical_system":"O-V-Y","density":4.163800443666252,"density_atomic":0.07380607381337827,"volume":162.58824484205053,"volume_molar":8.159410803001435,"formula_full":"Y2 V2 O8","formula_reduced":"YVO4","formula_anonymous":"ABC4","energy_above_hull":2.5860672750000004,"spacegroup":141},{"id":"jvasp-10691","created_at":"2022-09-04T14:36:34.882789Z","updated_at":"2022-09-04T14:36:34.882815Z","structure_string":"Ce2 Si2 O8\n1.0\n5.626250 0.017897 -1.676181\n-3.122777 4.680092 -1.676181\n-0.009537 -0.017897 5.870620\nCe Si O\n2 2 8\ndirect\n0.124999 0.875000 0.250000 Ce\n0.875000 0.125000 0.750000 Ce\n0.625000 0.375000 0.250000 Si\n0.374999 0.625000 0.750000 Si\n0.793954 0.364139 0.070185 O\n0.723767 0.793953 0.929815 O\n0.364137 0.793953 0.570184 O\n0.793953 0.723768 0.429816 O\n0.276232 0.206046 0.070185 O\n0.206045 0.635861 0.929815 O\n0.206046 0.276231 0.570184 O\n0.635862 0.206046 0.429816 O\n","nsites":12,"nelements":3,"elements":["Ce","Si","O"],"chemical_system":"Ce-O-Si","density":4.988927706782536,"density_atomic":0.07763344018669584,"volume":154.57256526494183,"volume_molar":7.757147880498054,"formula_full":"Ce2 Si2 O8","formula_reduced":"CeSiO4","formula_anonymous":"ABC4","energy_above_hull":2.2187113500000004,"spacegroup":141},{"id":"jvasp-99341","created_at":"2022-09-04T14:36:35.707426Z","updated_at":"2022-09-04T14:36:35.707450Z","structure_string":"Ce4 As4 S4\n1.0\n3.949690 0.017369 0.000000\n-0.017252 3.949687 0.000000\n0.000000 0.000000 16.834537\nCe As S\n4 4 4\ndirect\n0.250004 0.750117 0.143430 Ce\n0.249997 0.749884 0.643430 Ce\n0.749997 0.249884 0.856570 Ce\n0.750003 0.250117 0.356570 Ce\n0.249998 0.250078 0.000000 As\n0.250003 0.249922 0.500000 As\n0.750003 0.749923 -0.000000 As\n0.749998 0.750079 0.500000 As\n0.250004 0.750117 0.316013 S\n0.249997 0.749884 0.816013 S\n0.749997 0.249884 0.683987 S\n0.750003 0.250117 0.183987 S\n","nsites":12,"nelements":3,"elements":["Ce","As","S"],"chemical_system":"As-Ce-S","density":6.24958521838782,"density_atomic":0.04569261742663123,"volume":262.6244823743887,"volume_molar":13.1796799990059,"formula_full":"Ce4 As4 S4","formula_reduced":"CeAsS","formula_anonymous":"ABC","energy_above_hull":1.3346624166666663,"spacegroup":129},{"id":"jvasp-50723","created_at":"2022-09-04T14:36:36.493134Z","updated_at":"2022-09-04T14:36:36.493158Z","structure_string":"Li5 Cu1 F6\n1.0\n5.077403 -0.016736 -0.013662\n2.510493 4.413359 0.013662\n-0.895128 1.544854 4.772600\nLi Cu F\n5 1 6\ndirect\n0.165881 0.165880 0.500000 Li\n0.333065 0.333065 -0.000000 Li\n0.500000 0.499999 0.500000 Li\n0.666934 0.666935 -0.000000 Li\n0.834118 0.834118 0.500000 Li\n0.000000 0.000000 0.000000 Cu\n0.084887 0.557975 0.254309 F\n0.557975 0.084886 0.745691 F\n0.268848 0.731151 0.727053 F\n0.731151 0.268848 0.272947 F\n0.442024 0.915113 0.254309 F\n0.915112 0.442024 0.745691 F\n","nsites":12,"nelements":3,"elements":["Li","Cu","F"],"chemical_system":"Cu-F-Li","density":3.295851970195397,"density_atomic":0.11221985550405186,"volume":106.93294823897472,"volume_molar":5.3663772181408325,"formula_full":"Li5 Cu1 F6","formula_reduced":"Li5CuF6","formula_anonymous":"AB5C6","energy_above_hull":0.1914942372916667,"spacegroup":12},{"id":"jvasp-29191","created_at":"2022-09-04T14:36:36.655508Z","updated_at":"2022-09-04T14:36:36.655518Z","structure_string":"Te4 Mo3 W1 Se4\n1.0\n3.442599 0.000000 -0.000000\n-1.721299 2.981381 -0.000023\n-0.000000 -0.000290 36.682376\nTe Mo W Se\n4 3 1 4\ndirect\n0.333343 0.666688 0.332381 Te\n0.333377 0.666754 0.707642 Te\n0.333328 0.666657 0.230985 Te\n0.333359 0.666719 0.606292 Te\n0.333310 0.666620 0.094907 Mo\n0.666670 0.333339 0.281686 Mo\n0.666702 0.333404 0.657003 Mo\n0.333318 0.666637 0.469316 W\n0.666640 0.333279 0.050366 Se\n0.666655 0.333307 0.424522 Se\n0.666648 0.333295 0.139537 Se\n0.666650 0.333300 0.514109 Se\n","nsites":12,"nelements":4,"elements":["Te","Mo","W","Se"],"chemical_system":"Mo-Se-Te-W","density":5.724386569237628,"density_atomic":0.03187277450945278,"volume":376.4968749878069,"volume_molar":18.894309807305806,"formula_full":"Te4 Mo3 W1 Se4","formula_reduced":"Te4Mo3WSe4","formula_anonymous":"AB3C4D4","energy_above_hull":3.538339352777778,"spacegroup":156},{"id":"jvasp-22651","created_at":"2022-09-04T14:36:18.451431Z","updated_at":"2022-09-04T14:36:18.451463Z","structure_string":"Sn4 Cl8\n1.0\n4.408712 0.000000 0.000000\n0.000000 7.752880 0.000000\n0.000000 0.000000 9.233095\nSn Cl\n4 8\ndirect\n0.750000 0.767682 0.577380 Sn\n0.250000 0.232318 0.422620 Sn\n0.250000 0.732318 0.077380 Sn\n0.750000 0.267682 0.922621 Sn\n0.250000 0.519739 0.844357 Cl\n0.250000 0.142729 0.078791 Cl\n0.250000 0.019739 0.655644 Cl\n0.750000 0.480261 0.155644 Cl\n0.750000 0.857271 0.921209 Cl\n0.750000 0.357271 0.578791 Cl\n0.250000 0.642729 0.421209 Cl\n0.750000 0.980261 0.344356 Cl\n","nsites":12,"nelements":2,"elements":["Sn","Cl"],"chemical_system":"Cl-Sn","density":3.9908184759046823,"density_atomic":0.038024118140576824,"volume":315.58917305157416,"volume_molar":15.837686853738154,"formula_full":"Sn4 Cl8","formula_reduced":"SnCl2","formula_anonymous":"AB2","energy_above_hull":0.0,"spacegroup":62},{"id":"jvasp-42815","created_at":"2022-09-04T14:36:21.373531Z","updated_at":"2022-09-04T14:36:21.373557Z","structure_string":"Na4 V2 O6\n1.0\n0.000000 6.316852 0.000000\n-5.480080 3.158426 0.000000\n0.000000 0.000000 4.912066\nNa V O\n4 2 6\ndirect\n0.501050 0.668313 0.007955 Na\n0.830638 0.668313 0.507955 Na\n0.498950 0.331687 0.507955 Na\n0.169363 0.331687 0.007955 Na\n0.830701 0.000000 0.045460 V\n0.169299 0.000000 0.545460 V\n0.838221 0.722824 0.987767 O\n0.438955 0.722824 0.487767 O\n0.561045 0.277176 0.987767 O\n0.161779 0.277176 0.487767 O\n0.886873 0.000000 0.421099 O\n0.113127 0.000000 0.921099 O\n","nsites":12,"nelements":3,"elements":["Na","V","O"],"chemical_system":"Na-O-V","density":2.8304360229530467,"density_atomic":0.07057151687102402,"volume":170.04027307406628,"volume_molar":8.533387161007209,"formula_full":"Na4 V2 O6","formula_reduced":"Na2VO3","formula_anonymous":"AB2C3","energy_above_hull":1.5042487833333331,"spacegroup":36},{"id":"jvasp-85410","created_at":"2022-09-04T14:36:13.300392Z","updated_at":"2022-09-04T14:36:13.300410Z","structure_string":"Cr2 W2 O8\n1.0\n4.718705 -0.019311 0.101796\n0.049786 4.873910 2.498022\n-0.033833 0.135251 5.475231\nCr W O\n2 2 8\ndirect\n0.502407 0.256701 0.256701 Cr\n0.497595 0.743299 0.743299 Cr\n0.000001 0.769953 0.230046 W\n0.000001 0.230046 0.769953 W\n0.203938 0.600847 0.600847 O\n0.796065 0.399153 0.399153 O\n0.776899 0.883556 0.883556 O\n0.223104 0.116444 0.116444 O\n0.701854 0.391665 0.902886 O\n0.298149 0.097114 0.608335 O\n0.298149 0.608335 0.097114 O\n0.701854 0.902886 0.391665 O\n","nsites":12,"nelements":3,"elements":["Cr","W","O"],"chemical_system":"Cr-O-W","density":8.007652365984143,"density_atomic":0.09649991256173364,"volume":124.35244428147301,"volume_molar":6.240566027609063,"formula_full":"Cr2 W2 O8","formula_reduced":"CrWO4","formula_anonymous":"ABC4","energy_above_hull":3.7800719000000007,"spacegroup":12},{"id":"jvasp-99027","created_at":"2022-09-04T14:36:31.456908Z","updated_at":"2022-09-04T14:36:31.456949Z","structure_string":"W2 S2 Cl8\n1.0\n6.046953 0.161228 -0.036010\n-0.651890 6.698598 1.510921\n-2.920415 0.010824 7.640259\nW S Cl\n2 2 8\ndirect\n0.137620 0.243195 0.218096 W\n0.862379 0.756805 0.781904 W\n0.311762 -0.035339 0.296549 S\n0.688237 0.035339 0.703451 S\n0.878737 0.656092 0.083043 Cl\n0.121261 0.343908 0.916957 Cl\n0.547247 0.545610 0.712586 Cl\n0.452752 0.454390 0.287414 Cl\n0.921935 0.733765 0.525266 Cl\n0.078063 0.266235 0.474734 Cl\n0.253455 0.845547 0.897073 Cl\n0.746543 0.154453 0.102927 Cl\n","nsites":12,"nelements":3,"elements":["W","S","Cl"],"chemical_system":"Cl-S-W","density":3.8475980094904525,"density_atomic":0.0388644265870305,"volume":308.76565162045995,"volume_molar":15.495251799262766,"formula_full":"W2 S2 Cl8","formula_reduced":"WSCl4","formula_anonymous":"ABC4","energy_above_hull":1.7439593783333334,"spacegroup":2},{"id":"jvasp-86497","created_at":"2022-09-04T14:36:18.390031Z","updated_at":"2022-09-04T14:36:18.390058Z","structure_string":"Sc4 Ni4 Sn4\n1.0\n4.385981 -0.000000 0.000000\n0.000000 6.662709 0.000000\n0.000000 0.000000 7.480362\nSc Ni Sn\n4 4 4\ndirect\n0.750000 0.989047 0.289102 Sc\n0.250000 0.010953 0.710898 Sc\n0.750000 0.489047 0.210898 Sc\n0.250000 0.510953 0.789102 Sc\n0.750000 0.706094 0.580199 Ni\n0.250000 0.293906 0.419800 Ni\n0.750000 0.206094 0.919800 Ni\n0.250000 0.793907 0.080200 Ni\n0.750000 0.797832 0.910855 Sn\n0.250000 0.202169 0.089145 Sn\n0.750000 0.297832 0.589144 Sn\n0.250000 0.702169 0.410855 Sn\n","nsites":12,"nelements":3,"elements":["Sc","Ni","Sn"],"chemical_system":"Ni-Sc-Sn","density":6.756537688040137,"density_atomic":0.05489604279089134,"volume":218.59499136777683,"volume_molar":10.970081728731142,"formula_full":"Sc4 Ni4 Sn4","formula_reduced":"ScNiSn","formula_anonymous":"ABC","energy_above_hull":0.9852797833333332,"spacegroup":62}]}