{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=11","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=9","results":[{"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-100383","created_at":"2022-09-04T14:36:38.455539Z","updated_at":"2022-09-04T14:36:38.455563Z","structure_string":"In1 Ga1 Cu1 Ag1 Se4\n1.0\n5.389000 -0.007490 -4.642840\n-1.137192 5.267653 -4.642840\n0.006054 0.007490 7.113173\nIn Ga Cu Ag Se\n1 1 1 1 4\ndirect\n0.500000 0.500000 -0.000000 In\n0.750000 0.250000 0.499999 Ga\n0.000000 0.000000 0.000000 Cu\n0.250000 0.750000 0.499999 Ag\n0.654332 0.626654 0.529964 Se\n0.096689 0.124367 0.470034 Se\n0.875632 0.345667 0.972321 Se\n0.373346 0.903311 0.027678 Se\n","nsites":8,"nelements":5,"elements":["In","Ga","Cu","Ag","Se"],"chemical_system":"Ag-Cu-Ga-In-Se","density":5.515959913567513,"density_atomic":0.0395571591312357,"volume":202.23899227593733,"volume_molar":15.223895983078092,"formula_full":"In1 Ga1 Cu1 Ag1 Se4","formula_reduced":"InGaCuAgSe4","formula_anonymous":"ABCDE4","energy_above_hull":0.5203579339583333,"spacegroup":82},{"id":"jvasp-51399","created_at":"2022-09-04T14:36:48.806576Z","updated_at":"2022-09-04T14:36:48.806607Z","structure_string":"Na2 Ca2 Si2 H2 O8\n1.0\n0.000000 5.436955 -0.023080\n7.060032 0.000000 0.000000\n0.000000 -2.453215 -4.906570\nNa Ca Si H O\n2 2 2 2 8\ndirect\n0.364169 0.765371 0.746998 Na\n0.635829 0.265371 0.253002 Na\n0.996474 0.514206 0.006604 Ca\n0.003524 0.014206 0.993396 Ca\n0.656022 0.754908 0.374207 Si\n0.343976 0.254909 0.625793 Si\n0.964523 -0.000461 0.467610 H\n0.035475 0.499539 0.532390 H\n0.323358 0.763635 0.196851 O\n0.676640 0.263635 0.803149 O\n0.763638 0.761310 0.704848 O\n0.236360 0.261310 0.295152 O\n0.789250 0.572153 0.289323 O\n0.210748 0.072153 0.710677 O\n0.790648 0.951876 0.296242 O\n0.209350 0.451876 0.703757 O\n","nsites":16,"nelements":5,"elements":["Na","Ca","Si","H","O"],"chemical_system":"Ca-H-Na-O-Si","density":2.7477953411489313,"density_atomic":0.08477324029856785,"volume":188.7388041750989,"volume_molar":7.103822785103258,"formula_full":"Na2 Ca2 Si2 H2 O8","formula_reduced":"NaCaSiHO4","formula_anonymous":"ABCDE4","energy_above_hull":1.7437990025,"spacegroup":4},{"id":"jvasp-34639","created_at":"2022-09-04T14:36:46.879128Z","updated_at":"2022-09-04T14:36:46.879152Z","structure_string":"Ca2 Bi2 C2 O8 F2\n1.0\n3.449565 0.000000 0.000000\n0.000000 4.539477 0.000000\n0.000000 0.000000 13.196274\nCa Bi C O F\n2 2 2 8 2\ndirect\n0.500001 0.500000 0.594088 Ca\n0.000000 0.000000 0.405911 Ca\n0.000000 0.000000 0.098188 Bi\n0.500001 0.500000 0.901812 Bi\n0.000000 0.000000 0.737609 C\n0.500001 0.500000 0.262391 C\n0.500001 0.744720 0.309154 O\n0.000000 0.755281 0.690846 O\n0.000000 0.000000 0.837814 O\n0.500001 0.500000 0.162186 O\n0.500001 0.255280 0.309154 O\n0.000000 0.244720 0.690846 O\n0.500001 0.000000 0.993474 O\n0.000000 0.500000 0.006525 O\n0.500001 0.000000 0.521465 F\n0.000000 0.500000 0.478535 F\n","nsites":16,"nelements":5,"elements":["Ca","Bi","C","O","F"],"chemical_system":"Bi-C-Ca-F-O","density":5.529657627361574,"density_atomic":0.07742808273986429,"volume":206.64337064570384,"volume_molar":7.777721657183004,"formula_full":"Ca2 Bi2 C2 O8 F2","formula_reduced":"CaBiCO4F","formula_anonymous":"ABCDE4","energy_above_hull":2.0589473753125,"spacegroup":59},{"id":"jvasp-36725","created_at":"2022-09-04T14:38:06.430017Z","updated_at":"2022-09-04T14:38:06.430045Z","structure_string":"K2 Ca2 Si2 H2 O8\n1.0\n0.000000 5.581167 0.014934\n7.470569 0.000000 0.000000\n0.000000 -2.703286 -4.941661\nK Ca Si H O\n2 2 2 2 8\ndirect\n0.356836 0.765507 0.721274 K\n0.643164 0.265507 0.278727 K\n0.995009 0.513349 0.006024 Ca\n0.004991 0.013349 0.993977 Ca\n0.679058 0.755268 0.372354 Si\n0.320942 0.255268 0.627647 Si\n0.963881 0.998239 0.464548 H\n0.036119 0.498239 0.535453 H\n0.344797 0.764360 0.212898 O\n0.655203 0.264360 0.787103 O\n0.812503 0.759739 0.703952 O\n0.187497 0.259739 0.296049 O\n0.804612 0.588168 0.277045 O\n0.195388 0.088168 0.722956 O\n0.810843 0.938370 0.291403 O\n0.189157 0.438370 0.708598 O\n","nsites":16,"nelements":5,"elements":["K","Ca","Si","H","O"],"chemical_system":"Ca-H-K-O-Si","density":2.7807795540926756,"density_atomic":0.07776863985042445,"volume":205.73845743957258,"volume_molar":7.743662190289846,"formula_full":"K2 Ca2 Si2 H2 O8","formula_reduced":"KCaSiHO4","formula_anonymous":"ABCDE4","energy_above_hull":1.7134688775000002,"spacegroup":4},{"id":"jvasp-10075","created_at":"2022-09-04T14:38:13.525105Z","updated_at":"2022-09-04T14:38:13.525146Z","structure_string":"Ca2 Mg2 As2 O8 F2\n1.0\n5.474670 -0.007016 -1.337521\n-1.966809 5.109180 -1.337521\n-0.012334 -0.017940 7.115142\nCa Mg As O F\n2 2 2 8 2\ndirect\n0.167708 0.332292 0.250000 Ca\n0.832293 0.667707 0.750000 Ca\n0.500000 -0.000000 -0.000000 Mg\n0.500000 -0.000000 0.500000 Mg\n0.821166 0.678833 0.250000 As\n0.178834 0.321166 0.750000 As\n0.759716 0.381335 0.073932 O\n0.118664 0.740284 0.426068 O\n0.171143 0.099803 0.881166 O\n0.400197 0.328857 0.618833 O\n0.828857 0.900196 0.118833 O\n0.599803 0.671142 0.381167 O\n0.240284 0.618664 0.926068 O\n0.881336 0.259716 0.573932 O\n0.417973 0.082027 0.250000 F\n0.582027 0.917973 0.750000 F\n","nsites":16,"nelements":5,"elements":["Ca","Mg","As","O","F"],"chemical_system":"As-Ca-F-Mg-O","density":3.7163431797545194,"density_atomic":0.08054082238741084,"volume":198.65702293227298,"volume_molar":7.477128469129349,"formula_full":"Ca2 Mg2 As2 O8 F2","formula_reduced":"CaMgAsO4F","formula_anonymous":"ABCDE4","energy_above_hull":1.1980019378125,"spacegroup":15},{"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-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-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-58340","created_at":"2022-09-04T14:37:43.208964Z","updated_at":"2022-09-04T14:37:43.208988Z","structure_string":"Ca2 Al2 Si2 O8 F2\n1.0\n5.203050 -0.005058 -1.359396\n-1.866489 4.856744 -1.359396\n-0.004400 -0.006398 6.976330\nCa Al Si O F\n2 2 2 8 2\ndirect\n0.835776 0.164223 0.249999 Ca\n0.164224 0.835775 0.749999 Ca\n0.500000 0.499999 0.499999 Al\n0.500000 0.499999 -0.000001 Al\n0.185402 0.814596 0.249999 Si\n0.814597 0.185402 0.749999 Si\n0.393380 0.804077 0.111218 O\n0.195922 0.606619 0.388781 O\n0.606619 0.195921 0.888781 O\n0.804078 0.393380 0.611218 O\n0.869206 0.739332 0.091362 O\n0.130794 0.260666 0.908636 O\n0.260667 0.130794 0.408636 O\n0.739332 0.869205 0.591362 O\n0.568453 0.431546 0.249999 F\n0.431546 0.568453 0.749999 F\n","nsites":16,"nelements":5,"elements":["Ca","Al","Si","O","F"],"chemical_system":"Al-Ca-F-O-Si","density":3.358910151698359,"density_atomic":0.09083961578453408,"volume":176.1346067111403,"volume_molar":6.629421214510797,"formula_full":"Ca2 Al2 Si2 O8 F2","formula_reduced":"CaAlSiO4F","formula_anonymous":"ABCDE4","energy_above_hull":1.5975445128124997,"spacegroup":15},{"id":"jvasp-97929","created_at":"2022-09-04T14:35:52.936208Z","updated_at":"2022-09-04T14:35:52.936227Z","structure_string":"Ca4 Be4 P4 O16 F4\n1.0\n4.740154 0.000000 -0.055337\n0.000000 7.698695 0.000000\n-0.095413 0.000000 9.766301\nCa Be P O F\n4 4 4 16 4\ndirect\n0.004587 0.887737 0.670487 Ca\n0.995413 0.112263 0.329512 Ca\n0.004587 0.612262 0.170487 Ca\n0.995413 0.387737 0.829512 Ca\n0.452939 0.914328 0.161293 Be\n0.547061 0.414329 0.338706 Be\n0.547061 0.085671 0.838706 Be\n0.452939 0.585671 0.661293 Be\n0.476228 0.228576 0.581359 P\n0.523772 0.728576 0.918641 P\n0.476228 0.271424 0.081359 P\n0.523772 0.771423 0.418641 P\n0.336892 0.108873 0.146649 O\n0.315411 0.845456 0.306103 O\n0.684588 0.154543 0.693897 O\n0.654612 0.217299 0.957033 O\n0.654612 0.282701 0.457033 O\n0.345387 0.782701 0.042966 O\n0.246779 0.099370 0.539040 O\n0.753221 0.599370 0.960960 O\n0.663107 0.608872 0.353351 O\n0.315412 0.654543 0.806103 O\n0.345388 0.717299 0.542966 O\n0.684588 0.345456 0.193897 O\n0.663107 0.891127 0.853351 O\n0.336893 0.391127 0.646649 O\n0.246779 0.400629 0.039040 O\n0.753221 0.900629 0.460960 O\n0.214525 0.407454 0.326491 F\n0.214525 0.092546 0.826491 F\n0.785475 0.592546 0.673509 F\n0.785474 0.907453 0.173509 F\n","nsites":32,"nelements":5,"elements":["Ca","Be","P","O","F"],"chemical_system":"Be-Ca-F-O-P","density":3.0392487708469917,"density_atomic":0.08979658940560538,"volume":356.3609733044322,"volume_molar":6.706424820655916,"formula_full":"Ca4 Be4 P4 O16 F4","formula_reduced":"CaBePO4F","formula_anonymous":"ABCDE4","energy_above_hull":1.6291682878125,"spacegroup":14},{"id":"jvasp-12712","created_at":"2022-09-04T14:38:14.749412Z","updated_at":"2022-09-04T14:38:14.749437Z","structure_string":"Li2 V2 P2 O8 F2\n1.0\n5.174304 -0.020492 0.001662\n-0.740951 5.278286 0.009173\n-2.347359 -2.449414 6.431068\nLi V P O F\n2 2 2 8 2\ndirect\n0.264712 0.616831 0.190076 Li\n0.735287 0.383170 0.809923 Li\n0.000000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.320211 0.637742 0.763354 P\n0.679788 0.362260 0.236645 P\n0.313048 0.336805 0.659621 O\n0.686951 0.663197 0.340378 O\n0.370092 0.239610 0.078941 O\n0.754333 0.221741 0.395774 O\n0.629907 0.760392 0.921059 O\n0.245666 0.778261 0.604225 O\n0.120160 0.657367 0.886084 O\n0.879839 0.342635 0.113915 O\n0.134635 0.932841 0.266265 F\n0.865364 0.067161 0.733734 F\n","nsites":16,"nelements":5,"elements":["Li","V","P","O","F"],"chemical_system":"F-Li-O-P-V","density":3.248635003140319,"density_atomic":0.09107235101389798,"volume":175.68449504019438,"volume_molar":6.612479740509828,"formula_full":"Li2 V2 P2 O8 F2","formula_reduced":"LiVPO4F","formula_anonymous":"ABCDE4","energy_above_hull":2.2312254978125,"spacegroup":2}]}