{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=12","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=10","results":[{"id":"jvasp-25619","created_at":"2022-09-04T14:37:39.943762Z","updated_at":"2022-09-04T14:37:39.943793Z","structure_string":"K2 Sn2 S2 O8 F2\n1.0\n6.045359 -0.007108 0.036065\n-2.379128 6.711920 0.004350\n-1.512703 -2.812699 6.398006\nK Sn S O F\n2 2 2 8 2\ndirect\n0.690080 0.338738 0.130603 K\n0.309921 0.661262 0.869399 K\n0.877854 0.945924 0.707507 Sn\n0.122146 0.054076 0.292495 Sn\n0.672517 0.357275 0.656633 S\n0.327484 0.642725 0.343368 S\n0.522335 0.645391 0.249513 O\n0.477666 0.354609 0.750489 O\n0.182760 0.423810 0.335821 O\n0.146647 0.706139 0.230838 O\n0.553711 0.198767 0.431606 O\n0.446290 0.801233 0.568396 O\n0.817241 0.576190 0.664181 O\n0.853353 0.293861 0.769164 O\n0.233168 0.025319 0.024098 F\n0.766832 0.974681 0.975904 F\n","nsites":16,"nelements":5,"elements":["K","Sn","S","O","F"],"chemical_system":"F-K-O-S-Sn","density":3.4830699578230577,"density_atomic":0.06149621763738624,"volume":260.1786030865238,"volume_molar":9.792701065795107,"formula_full":"K2 Sn2 S2 O8 F2","formula_reduced":"KSnSO4F","formula_anonymous":"ABCDE4","energy_above_hull":1.3479642478125,"spacegroup":2},{"id":"jvasp-97684","created_at":"2022-09-04T14:35:51.702767Z","updated_at":"2022-09-04T14:35:51.702788Z","structure_string":"K8 Cr8 P8 O32 F8\n1.0\n6.343661 0.000000 0.000000\n0.000000 10.560044 0.000000\n0.000000 0.000000 12.748799\nK Cr P O F\n8 8 8 32 8\ndirect\n0.804154 0.192097 0.604725 K\n0.195846 0.692097 0.395276 K\n0.304154 0.692097 0.895276 K\n0.695846 0.192097 0.104724 K\n0.775056 0.945972 0.382145 K\n0.224944 0.445972 0.617855 K\n0.275056 0.445972 0.117855 K\n0.724944 0.945972 0.882145 K\n0.747311 0.499745 0.752697 Cr\n0.252689 -0.000255 0.247303 Cr\n0.000150 0.247999 0.886083 Cr\n0.500150 0.747998 0.613917 Cr\n0.499850 0.247999 0.386083 Cr\n0.247311 -0.000255 0.747303 Cr\n0.752689 0.499745 0.252697 Cr\n0.999850 0.747998 0.113917 Cr\n0.675105 0.498670 0.500004 P\n0.324895 0.998670 0.499997 P\n0.824895 0.498670 0.000003 P\n0.503392 0.748030 0.182144 P\n0.496608 0.248030 0.817856 P\n0.996608 0.748030 0.682144 P\n0.003392 0.248030 0.317856 P\n0.175105 0.998670 0.999997 P\n0.043410 0.861120 0.756672 O\n0.543410 0.361120 0.743328 O\n0.956590 0.361120 0.243328 O\n0.035865 0.877953 0.010158 O\n0.458014 0.134211 0.742508 O\n0.964135 0.377953 0.989842 O\n0.464135 0.877953 0.510158 O\n0.535865 0.377953 0.489842 O\n0.016937 0.110037 0.986952 O\n0.983063 0.610037 0.013048 O\n0.483063 0.110037 0.486952 O\n0.693484 0.775370 0.110035 O\n0.516937 0.610037 0.513048 O\n0.189769 0.717875 0.611566 O\n0.689769 0.217875 0.888435 O\n0.310231 0.717875 0.111566 O\n0.193485 0.275370 0.389965 O\n0.806515 0.775370 0.610035 O\n0.306515 0.275370 0.889965 O\n0.810231 0.217875 0.388435 O\n0.819935 0.518646 0.404258 O\n0.180065 0.018647 0.595742 O\n0.680065 0.518646 0.904258 O\n0.958014 0.634211 0.757492 O\n0.041986 0.134211 0.242508 O\n0.312916 0.982286 0.900604 O\n0.541986 0.634211 0.257492 O\n0.319935 0.018647 0.095742 O\n0.687084 0.482286 0.099396 O\n0.187084 0.982286 0.400604 O\n0.812916 0.482286 0.599397 O\n0.456590 0.861120 0.256672 O\n0.019197 0.119699 0.773079 F\n0.519197 0.619699 0.726921 F\n0.527924 0.373787 0.272444 F\n0.472075 0.873787 0.727556 F\n0.972075 0.373787 0.772444 F\n0.027925 0.873787 0.227556 F\n0.980803 0.619699 0.226921 F\n0.480803 0.119699 0.273079 F\n","nsites":64,"nelements":5,"elements":["K","Cr","P","O","F"],"chemical_system":"Cr-F-K-O-P","density":3.189729760957002,"density_atomic":0.07493850169188875,"volume":854.0336216373444,"volume_molar":8.036110442613545,"formula_full":"K8 Cr8 P8 O32 F8","formula_reduced":"KCrPO4F","formula_anonymous":"ABCDE4","energy_above_hull":2.0681406478125,"spacegroup":33},{"id":"jvasp-34452","created_at":"2022-09-04T14:37:09.952738Z","updated_at":"2022-09-04T14:37:09.952760Z","structure_string":"K2 Te2 H2 O2 F8\n1.0\n0.000000 4.963897 -0.060581\n6.666590 0.000000 0.000000\n0.000000 -2.116143 -7.285734\nK Te H O F\n2 2 2 2 8\ndirect\n0.656722 0.923352 0.299030 K\n0.343279 0.423352 0.700970 K\n0.945502 0.867467 0.832417 Te\n0.054499 0.367467 0.167583 Te\n0.744523 0.401535 0.372482 H\n0.255478 0.901535 0.627517 H\n0.930128 0.335497 0.386067 O\n0.069873 0.835497 0.613932 O\n0.898158 0.648649 0.161837 F\n0.666482 0.268217 0.038407 F\n0.421238 0.468540 0.361282 F\n0.578763 0.968540 0.638717 F\n0.844755 0.571743 0.775839 F\n0.101843 0.148649 0.838162 F\n0.155246 0.071743 0.224161 F\n0.333519 0.768217 0.961593 F\n","nsites":16,"nelements":5,"elements":["K","Te","H","O","F"],"chemical_system":"F-H-K-O-Te","density":3.5646199355803914,"density_atomic":0.06612770051184581,"volume":241.956092169481,"volume_molar":9.106835279900928,"formula_full":"K2 Te2 H2 O2 F8","formula_reduced":"KTeHOF4","formula_anonymous":"ABCDE4","energy_above_hull":0.3693550495833333,"spacegroup":4},{"id":"jvasp-95994","created_at":"2022-09-04T14:35:58.564642Z","updated_at":"2022-09-04T14:35:58.564657Z","structure_string":"Ca4 Be4 P4 O16 F4\n1.0\n4.752510 0.000000 -0.052319\n0.000000 7.713565 0.000000\n-0.089250 0.000000 9.788041\nCa Be P O F\n4 4 4 16 4\ndirect\n0.004209 0.888042 0.670276 Ca\n0.995791 0.111958 0.329724 Ca\n0.004209 0.611959 0.170276 Ca\n0.995791 0.388042 0.829724 Ca\n0.452840 0.914336 0.161513 Be\n0.547160 0.414335 0.338487 Be\n0.547160 0.085665 0.838487 Be\n0.452840 0.585665 0.661513 Be\n0.476142 0.228398 0.581222 P\n0.523858 0.728398 0.918778 P\n0.476142 0.271602 0.081222 P\n0.523858 0.771603 0.418778 P\n0.338065 0.109196 0.146510 O\n0.316554 0.845796 0.306665 O\n0.683446 0.154205 0.693335 O\n0.653359 0.217772 0.956814 O\n0.653359 0.282228 0.456814 O\n0.346641 0.782229 0.043186 O\n0.246879 0.099731 0.539141 O\n0.753121 0.599732 0.960859 O\n0.661935 0.609197 0.353490 O\n0.316554 0.654205 0.806665 O\n0.346641 0.717772 0.543186 O\n0.683445 0.345796 0.193335 O\n0.661935 0.890804 0.853490 O\n0.338065 0.390804 0.646510 O\n0.246879 0.400269 0.039141 O\n0.753121 0.900269 0.460859 O\n0.214473 0.407322 0.326184 F\n0.214473 0.092678 0.826184 F\n0.785527 0.592679 0.673816 F\n0.785527 0.907322 0.173816 F\n","nsites":32,"nelements":5,"elements":["Ca","Be","P","O","F"],"chemical_system":"Be-Ca-F-O-P","density":3.018742160284039,"density_atomic":0.0891907082067758,"volume":358.78176822873314,"volume_molar":6.751982219984771,"formula_full":"Ca4 Be4 P4 O16 F4","formula_reduced":"CaBePO4F","formula_anonymous":"ABCDE4","energy_above_hull":1.6313282878125,"spacegroup":14},{"id":"jvasp-120485","created_at":"2022-09-04T14:38:50.959599Z","updated_at":"2022-09-04T14:38:50.959623Z","structure_string":"Ca2 Mg2 P2 O8 F2\n1.0\n5.328606 -0.026101 1.242889\n-1.883318 4.984760 1.242889\n0.011472 0.016511 6.929326\nCa Mg P O F\n2 2 2 8 2\ndirect\n0.662468 0.337532 0.750001 Ca\n0.337532 0.662468 0.250000 Ca\n-0.000000 -0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.320739 0.679260 0.750001 P\n0.679261 0.320740 0.250000 P\n0.598442 0.742683 0.588233 O\n0.401558 0.257317 0.411768 O\n0.257317 0.401558 0.911768 O\n0.742683 0.598442 0.088232 O\n0.328827 0.890163 0.868828 O\n0.671173 0.109837 0.131173 O\n0.109836 0.671173 0.631174 O\n0.890164 0.328827 0.368827 O\n0.915552 0.084449 0.750000 F\n0.084448 0.915551 0.250000 F\n","nsites":16,"nelements":5,"elements":["Ca","Mg","P","O","F"],"chemical_system":"Ca-F-Mg-O-P","density":3.2280007179645334,"density_atomic":0.08719561900543539,"volume":183.49545748396636,"volume_molar":6.9064717111815055,"formula_full":"Ca2 Mg2 P2 O8 F2","formula_reduced":"CaMgPO4F","formula_anonymous":"ABCDE4","energy_above_hull":1.2303136565625,"spacegroup":15},{"id":"jvasp-98935","created_at":"2022-09-04T14:35:55.712065Z","updated_at":"2022-09-04T14:35:55.712095Z","structure_string":"Tl6 Cu6 H6 C6 O24\n1.0\n10.992189 -0.000000 0.000000\n-5.496094 9.519515 -0.000000\n-0.000000 -0.000000 6.072120\nTl Cu H C O\n6 6 6 6 24\ndirect\n0.867695 0.720564 0.250000 Tl\n0.852869 0.132305 0.250000 Tl\n0.279437 0.147132 0.250000 Tl\n0.132305 0.279437 0.750000 Tl\n0.147132 0.867695 0.750000 Tl\n0.720564 0.852869 0.750000 Tl\n0.500000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.803494 0.403778 0.250000 H\n0.600284 0.196506 0.250000 H\n0.596223 0.399716 0.250000 H\n0.196507 0.596223 0.750000 H\n0.399717 0.803494 0.750000 H\n0.403778 0.600284 0.750000 H\n0.428969 0.192699 0.750000 C\n0.807301 0.236270 0.750000 C\n0.763731 0.571032 0.750000 C\n0.571032 0.807301 0.250000 C\n0.192700 0.763731 0.250000 C\n0.236270 0.428969 0.250000 C\n0.719826 0.104305 0.750000 O\n0.104305 0.384479 0.250000 O\n0.615522 0.719826 0.250000 O\n0.280175 0.895696 0.250000 O\n0.302702 0.449851 0.062226 O\n0.550150 0.852851 0.062226 O\n0.147150 0.697298 0.062226 O\n0.697298 0.550149 0.562226 O\n0.449851 0.147149 0.562226 O\n0.852851 0.302702 0.562226 O\n0.697298 0.550149 0.937774 O\n0.449851 0.147149 0.937774 O\n0.302702 0.449851 0.437774 O\n0.550150 0.852851 0.437774 O\n0.147150 0.697298 0.437774 O\n0.495934 0.607226 0.750000 O\n0.392775 0.888708 0.750000 O\n0.111293 0.504067 0.750000 O\n0.504067 0.392775 0.250000 O\n0.607226 0.111292 0.250000 O\n0.888708 0.495933 0.250000 O\n0.384479 0.280174 0.750000 O\n0.852851 0.302702 0.937774 O\n0.895696 0.615522 0.750000 O\n","nsites":48,"nelements":5,"elements":["Tl","Cu","H","C","O"],"chemical_system":"C-Cu-H-O-Tl","density":5.408932062729496,"density_atomic":0.07554433144267544,"volume":635.3885074278983,"volume_molar":7.971664643785644,"formula_full":"Tl6 Cu6 H6 C6 O24","formula_reduced":"TlCuHCO4","formula_anonymous":"ABCDE4","energy_above_hull":2.36884838125,"spacegroup":176},{"id":"jvasp-96682","created_at":"2022-09-04T14:35:44.577903Z","updated_at":"2022-09-04T14:35:44.577925Z","structure_string":"Ca2 Mg2 As2 O8 F2\n1.0\n5.474204 -0.007128 -1.337167\n-1.966747 5.108705 -1.337167\n-0.012221 -0.017776 7.113759\nCa Mg As O F\n2 2 2 8 2\ndirect\n0.835911 0.671225 0.750974 Ca\n0.171225 0.335912 0.250974 Ca\n0.503551 0.003569 0.000969 Mg\n0.503569 0.003551 0.500969 Mg\n0.824702 0.682427 0.250975 As\n0.182426 0.324703 0.750976 As\n0.243849 0.622178 0.927104 O\n0.603304 0.674702 0.382149 O\n0.832423 0.903837 0.119811 O\n0.763250 0.384948 0.074840 O\n0.174702 0.103304 0.882150 O\n0.403836 0.332423 0.619811 O\n0.122178 0.743849 0.427105 O\n0.884947 0.263250 0.574840 O\n0.421499 0.085621 0.250972 F\n0.585620 0.921499 0.750972 F\n","nsites":16,"nelements":5,"elements":["Ca","Mg","As","O","F"],"chemical_system":"As-Ca-F-Mg-O","density":3.717712505468483,"density_atomic":0.08057049850013359,"volume":198.58385262409007,"volume_molar":7.474374457283536,"formula_full":"Ca2 Mg2 As2 O8 F2","formula_reduced":"CaMgAsO4F","formula_anonymous":"ABCDE4","energy_above_hull":1.1980081878125,"spacegroup":15},{"id":"jvasp-49860","created_at":"2022-09-04T14:37:08.565879Z","updated_at":"2022-09-04T14:37:08.565891Z","structure_string":"Ba2 Be2 P2 O8 F2\n1.0\n4.896151 0.006448 -0.000967\n-0.003463 4.896649 -0.002405\n-2.410667 -2.412979 8.452581\nBa Be P O F\n2 2 2 8 2\ndirect\n0.003538 0.003057 0.000425 Ba\n0.752651 0.254037 0.500477 Ba\n0.167089 0.652714 0.336086 Be\n0.402346 0.417696 0.836080 Be\n0.582915 0.561341 0.165385 P\n0.310993 0.833538 0.665389 P\n0.838290 0.736319 0.298695 O\n0.604740 0.604636 0.005540 O\n0.996339 0.834312 0.659305 O\n0.303784 0.684219 0.196837 O\n0.354126 0.855218 0.505487 O\n0.583725 0.246680 0.159228 O\n0.434017 0.554537 0.696918 O\n0.486031 0.088976 0.798606 O\n0.175502 0.334650 0.347444 F\n0.084207 0.425989 0.847351 F\n","nsites":16,"nelements":5,"elements":["Ba","Be","P","O","F"],"chemical_system":"Ba-Be-F-O-P","density":4.266875454687847,"density_atomic":0.07896993131828582,"volume":202.60876175151404,"volume_molar":7.62586551548076,"formula_full":"Ba2 Be2 P2 O8 F2","formula_reduced":"BaBePO4F","formula_anonymous":"ABCDE4","energy_above_hull":1.6583102315624998,"spacegroup":9},{"id":"jvasp-36728","created_at":"2022-09-04T14:37:59.817276Z","updated_at":"2022-09-04T14:37:59.817306Z","structure_string":"K2 Ba2 Si2 H2 O8\n1.0\n0.000000 5.850586 -0.003286\n8.093323 0.000000 0.000000\n0.000000 -2.888664 -5.259471\nK Ba Si H O\n2 2 2 2 8\ndirect\n0.372847 0.228962 0.701388 K\n0.627154 0.728961 0.298612 K\n0.016721 0.482768 -0.000126 Ba\n0.983281 0.982768 0.000127 Ba\n0.705056 0.246099 0.378065 Si\n0.294946 0.746099 0.621936 Si\n0.511395 0.009401 0.449690 H\n0.488607 0.509401 0.550310 H\n0.839000 0.245172 0.194283 O\n0.161002 0.745172 0.805717 O\n0.914965 0.229507 0.681296 O\n0.085037 0.729507 0.318704 O\n0.508712 0.404323 0.329673 O\n0.491290 0.904322 0.670327 O\n0.513171 0.070766 0.301185 O\n0.486831 0.570766 0.698815 O\n","nsites":16,"nelements":5,"elements":["K","Ba","Si","H","O"],"chemical_system":"Ba-H-K-O-Si","density":3.5930390609564267,"density_atomic":0.06422701343817709,"volume":249.11636309231625,"volume_molar":9.376336276007484,"formula_full":"K2 Ba2 Si2 H2 O8","formula_reduced":"KBaSiHO4","formula_anonymous":"ABCDE4","energy_above_hull":1.74918957125,"spacegroup":4},{"id":"jvasp-58408","created_at":"2022-09-04T14:37:37.888399Z","updated_at":"2022-09-04T14:37:37.888423Z","structure_string":"Na2 Al2 P2 O8 F2\n1.0\n5.067300 -0.013886 -1.388030\n-1.711965 4.769371 -1.388030\n0.001402 0.001986 6.934571\nNa Al P O F\n2 2 2 8 2\ndirect\n0.332050 0.667952 0.750000 Na\n0.667951 0.332049 0.250000 Na\n-0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.682807 0.317193 0.750000 P\n0.317194 0.682807 0.250000 P\n0.304828 0.885769 0.122304 O\n0.114231 0.695173 0.377696 O\n0.238581 0.378923 0.096933 O\n0.621077 0.761419 0.403067 O\n0.761419 0.621077 0.903067 O\n0.378923 0.238581 0.596933 O\n0.695173 0.114231 0.877696 O\n0.885769 0.304827 0.622304 O\n0.929458 0.070541 0.250000 F\n0.070542 0.929459 0.750000 F\n","nsites":16,"nelements":5,"elements":["Na","Al","P","O","F"],"chemical_system":"Al-F-Na-O-P","density":3.2513545350538253,"density_atomic":0.09554708559444527,"volume":167.45670368129132,"volume_molar":6.302799004839666,"formula_full":"Na2 Al2 P2 O8 F2","formula_reduced":"NaAlPO4F","formula_anonymous":"ABCDE4","energy_above_hull":1.5991476978125,"spacegroup":15},{"id":"jvasp-36727","created_at":"2022-09-04T14:38:05.201616Z","updated_at":"2022-09-04T14:38:05.201643Z","structure_string":"Rb2 Ba2 Si2 H2 O8\n1.0\n0.000000 5.940888 -0.024179\n8.175521 0.000000 0.000000\n0.000000 -2.849092 -5.297386\nRb Ba Si H O\n2 2 2 2 8\ndirect\n0.365541 0.229258 0.711683 Rb\n0.634461 0.729258 0.288318 Rb\n0.013470 0.484411 0.004912 Ba\n0.986531 0.984411 0.995089 Ba\n0.694809 0.245929 0.377653 Si\n0.305192 0.745928 0.622348 Si\n0.513292 0.009448 0.454748 H\n0.486709 0.509447 0.545253 H\n0.844463 0.241203 0.208919 O\n0.155538 0.741203 0.791082 O\n0.885914 0.236256 0.681703 O\n0.114088 0.736255 0.318298 O\n0.493011 0.399365 0.309684 O\n0.506990 0.899365 0.690317 O\n0.507795 0.071132 0.305247 O\n0.492206 0.571132 0.694754 O\n","nsites":16,"nelements":5,"elements":["Rb","Ba","Si","H","O"],"chemical_system":"Ba-H-O-Rb-Si","density":4.068471027484291,"density_atomic":0.06205002468982901,"volume":257.85646468280385,"volume_molar":9.705299538723835,"formula_full":"Rb2 Ba2 Si2 H2 O8","formula_reduced":"RbBaSiHO4","formula_anonymous":"ABCDE4","energy_above_hull":1.7496623212499998,"spacegroup":4},{"id":"jvasp-33324","created_at":"2022-09-04T14:36:50.822596Z","updated_at":"2022-09-04T14:36:50.822619Z","structure_string":"As2 H6 C2 N2 O2 F18\n1.0\n4.978324 0.080428 -0.499917\n-1.711862 8.052392 -0.023528\n-0.029471 0.112198 8.831820\nAs H C N O F\n2 6 2 2 2 18\ndirect\n0.966113 0.750603 0.660933 As\n0.033887 0.249398 0.339066 As\n0.338142 0.738829 0.364861 H\n0.661858 0.261171 0.635138 H\n0.589968 0.883902 0.298230 H\n0.410032 0.116098 0.701769 H\n0.544675 0.547527 0.302148 H\n0.455325 0.452473 0.697851 H\n0.288424 0.773674 0.126295 C\n0.711576 0.226327 0.873705 C\n0.536561 0.232801 0.724390 N\n0.463439 0.767200 0.275609 N\n0.639218 0.654650 0.263254 O\n0.360782 0.345350 0.736745 O\n0.867942 0.113964 0.857923 F\n0.132058 0.886037 0.142076 F\n0.546638 0.181468 0.982035 F\n0.453362 0.818532 0.017964 F\n0.169423 0.263969 0.163603 F\n0.830577 0.736031 0.836397 F\n0.782096 0.362166 0.271052 F\n0.217904 0.637834 0.728948 F\n0.897467 0.232016 0.519138 F\n0.718314 0.864050 0.583642 F\n0.258833 0.438202 0.403063 F\n0.741167 0.561798 0.596936 F\n0.806071 0.061593 0.277767 F\n0.193929 0.938408 0.722232 F\n0.136720 0.624034 0.097358 F\n0.102533 0.767984 0.480861 F\n0.281686 0.135951 0.416358 F\n0.863280 0.375966 0.902641 F\n","nsites":32,"nelements":6,"elements":["As","H","C","N","O","F"],"chemical_system":"As-C-F-H-N-O","density":2.7199344686913665,"density_atomic":0.09007705429906306,"volume":355.2514039120044,"volume_molar":6.685543623580329,"formula_full":"As2 H6 C2 N2 O2 F18","formula_reduced":"AsH3CNOF9","formula_anonymous":"ABCDE3F9","energy_above_hull":1.64476694015625,"spacegroup":2}]}