{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=density_atomic&page=3511","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=density_atomic&page=3509","results":[{"id":"jvasp-45563","created_at":"2022-09-04T14:37:13.437007Z","updated_at":"2022-09-04T14:37:13.437033Z","structure_string":"Ti8 O16\n1.0\n5.183303 0.000000 0.000000\n0.000000 5.987251 0.000000\n0.000000 0.000000 9.893183\nTi O\n8 16\ndirect\n0.493217 0.500000 0.736237 Ti\n0.493217 0.500000 0.263763 Ti\n0.506783 0.000000 0.763762 Ti\n0.506783 0.000000 0.236237 Ti\n0.000000 0.250000 0.750000 Ti\n0.000000 0.750000 0.250000 Ti\n0.000000 0.750000 0.750000 Ti\n0.000000 0.250000 0.250000 Ti\n0.333055 0.751088 0.348190 O\n0.333055 0.248912 0.651810 O\n0.333055 0.248912 0.348190 O\n0.333055 0.751088 0.651810 O\n0.666945 0.748912 0.151810 O\n0.666945 0.251088 0.848190 O\n0.832949 0.000000 0.345533 O\n0.166607 0.000000 0.150512 O\n0.167051 0.500000 0.154466 O\n0.167051 0.500000 0.845533 O\n0.666945 0.748912 0.848190 O\n0.166607 0.000000 0.849488 O\n0.833392 0.500000 0.349488 O\n0.833392 0.500000 0.650511 O\n0.832949 0.000000 0.654466 O\n0.666945 0.251088 0.151810 O\n","nsites":24,"nelements":2,"elements":["Ti","O"],"chemical_system":"O-Ti","density":3.4556506099102062,"density_atomic":0.07817018447489694,"volume":307.02243011473513,"volume_molar":7.703884544284158,"formula_full":"Ti8 O16","formula_reduced":"TiO2","formula_anonymous":"AB2","energy_above_hull":1.537238444444445,"spacegroup":59},{"id":"jvasp-101629","created_at":"2022-09-04T14:36:46.231427Z","updated_at":"2022-09-04T14:36:46.231451Z","structure_string":"Mg1 Re1 Pb2 O6\n1.0\n4.897970 -0.000000 2.827844\n1.632657 4.617851 2.827844\n-0.000000 -0.000000 5.655689\nMg Re Pb O\n1 1 2 6\ndirect\n0.500000 0.500000 0.499999 Mg\n0.000000 0.000000 0.000000 Re\n0.250000 0.250000 0.250000 Pb\n0.750000 0.750000 0.749999 Pb\n0.758326 0.241674 0.241673 O\n0.241675 0.758326 0.758325 O\n0.241675 0.758326 0.241673 O\n0.758326 0.241674 0.758325 O\n0.241674 0.241674 0.758326 O\n0.758326 0.758326 0.241673 O\n","nsites":10,"nelements":4,"elements":["Mg","Re","Pb","O"],"chemical_system":"Mg-O-Pb-Re","density":9.358098815546116,"density_atomic":0.07817329959351749,"volume":127.92091483917929,"volume_molar":7.703577553095105,"formula_full":"Mg1 Re1 Pb2 O6","formula_reduced":"MgRe(PbO3)2","formula_anonymous":"ABC2D6","energy_above_hull":2.337478969,"spacegroup":225},{"id":"jvasp-42931","created_at":"2022-09-04T14:38:11.004336Z","updated_at":"2022-09-04T14:38:11.004363Z","structure_string":"Li2 Co2 Si4 O12\n1.0\n-5.140398 0.036958 0.016420\n-0.036515 -5.140423 0.017315\n2.461525 2.428307 9.665674\nLi Co Si O\n2 2 4 12\ndirect\n0.111163 0.142439 0.331516 Li\n0.892440 0.361159 0.831517 Li\n0.716996 0.228152 0.505910 Co\n0.978152 0.966995 0.005910 Co\n0.398936 0.016537 0.833551 Si\n0.299927 0.430034 0.661466 Si\n0.180035 0.549922 0.161465 Si\n0.766539 0.648936 0.333550 Si\n0.800658 0.348504 0.361259 O\n0.763570 0.868382 0.475753 O\n0.494976 0.656597 0.213106 O\n0.406602 0.744972 0.713108 O\n0.359451 0.298124 0.510172 O\n0.048126 0.609450 0.010172 O\n0.618379 0.013569 0.975754 O\n0.144627 0.234581 0.163013 O\n0.984585 0.394627 0.663013 O\n0.098503 0.050654 0.861258 O\n0.483107 0.274851 0.775540 O\n0.024856 0.733108 0.275540 O\n","nsites":20,"nelements":4,"elements":["Li","Co","Si","O"],"chemical_system":"Co-Li-O-Si","density":2.830402102808196,"density_atomic":0.07817352407645597,"volume":255.84109500346204,"volume_molar":7.7035554315169055,"formula_full":"Li2 Co2 Si4 O12","formula_reduced":"LiCo(SiO3)2","formula_anonymous":"ABC2D6","energy_above_hull":2.73229791,"spacegroup":9},{"id":"jvasp-91457","created_at":"2022-09-04T14:36:22.632946Z","updated_at":"2022-09-04T14:36:22.632970Z","structure_string":"Na4 Nb4 O8 F4\n1.0\n5.519374 0.000000 0.000000\n-0.000000 5.649429 0.000000\n0.000000 0.000000 8.204860\nNa Nb O F\n4 4 8 4\ndirect\n0.964140 0.024294 0.250000 Na\n0.535859 0.524294 0.250000 Na\n0.464140 0.475706 0.750000 Na\n0.035859 0.975706 0.750000 Na\n0.500000 -0.000000 0.500000 Nb\n0.500000 -0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 Nb\n0.000000 0.500000 0.000000 Nb\n0.771416 0.769996 0.045439 O\n0.771416 0.769996 0.454561 O\n0.271416 0.730005 0.954561 O\n0.728583 0.269996 0.454561 O\n0.228583 0.230005 0.545439 O\n0.271416 0.730005 0.545439 O\n0.728583 0.269996 0.045439 O\n0.228583 0.230005 0.954561 O\n0.878644 0.521931 0.750000 F\n0.378644 0.978069 0.250000 F\n0.621355 0.021931 0.750000 F\n0.121355 0.478069 0.250000 F\n","nsites":20,"nelements":4,"elements":["Na","Nb","O","F"],"chemical_system":"F-Na-Nb-O","density":4.332938990274895,"density_atomic":0.07817437940217556,"volume":255.83829578112915,"volume_molar":7.70347114496237,"formula_full":"Na4 Nb4 O8 F4","formula_reduced":"NaNbO2F","formula_anonymous":"ABCD2","energy_above_hull":1.5007071364999998,"spacegroup":62},{"id":"jvasp-101855","created_at":"2022-09-04T14:37:13.095276Z","updated_at":"2022-09-04T14:37:13.095307Z","structure_string":"H2 C4 S2 N2 O4\n1.0\n4.616567 0.011067 0.531423\n0.946582 5.993122 2.045002\n-0.092777 -0.053849 6.446713\nH C S N O\n2 4 2 2 4\ndirect\n0.431495 0.188086 0.596748 H\n0.431547 0.688087 0.096738 H\n0.915271 0.242000 0.718390 C\n0.629726 0.248191 0.851811 C\n0.915317 0.742007 0.218376 C\n0.629772 0.748192 0.351802 C\n0.599513 0.276588 0.098853 S\n0.599559 0.776580 0.598846 S\n0.411001 0.234663 0.737259 N\n0.411048 0.734670 0.237244 N\n0.949106 0.249159 0.527200 O\n0.949147 0.749182 0.027185 O\n0.139425 0.728085 0.348713 O\n0.139377 0.228093 0.848722 O\n","nsites":14,"nelements":5,"elements":["H","C","S","N","O"],"chemical_system":"C-H-N-O-S","density":1.9120889657253952,"density_atomic":0.07818060853299391,"volume":179.07253809736844,"volume_molar":7.702857361948681,"formula_full":"H2 C4 S2 N2 O4","formula_reduced":"HC2SNO2","formula_anonymous":"ABCD2E2","energy_above_hull":4.297761464285714,"spacegroup":1},{"id":"jvasp-34336","created_at":"2022-09-04T14:37:18.387668Z","updated_at":"2022-09-04T14:37:18.387698Z","structure_string":"Na2 S2 O8\n1.0\n4.789547 0.010722 -0.000714\n-0.735744 5.540584 0.008610\n-1.382940 -1.403963 5.779927\nNa S O\n2 2 8\ndirect\n0.033263 0.313276 0.208903 Na\n0.966739 0.686724 0.791098 Na\n0.610983 0.777589 0.244603 S\n0.389018 0.222411 0.755398 S\n0.771435 0.894937 0.107239 O\n0.228566 0.105063 0.892762 O\n0.579581 0.037754 0.414991 O\n0.228558 0.359814 0.607502 O\n0.420421 0.962246 0.585010 O\n0.316396 0.649424 0.124503 O\n0.771444 0.640186 0.392499 O\n0.683606 0.350576 0.875498 O\n","nsites":12,"nelements":3,"elements":["Na","S","O"],"chemical_system":"Na-O-S","density":2.576141960123497,"density_atomic":0.07818688330585037,"volume":153.47842876737477,"volume_molar":7.702239180506369,"formula_full":"Na2 S2 O8","formula_reduced":"NaSO4","formula_anonymous":"ABC4","energy_above_hull":1.7540305000000005,"spacegroup":2},{"id":"jvasp-23562","created_at":"2022-09-04T14:37:33.433590Z","updated_at":"2022-09-04T14:37:33.433622Z","structure_string":"Ta4 Fe4 P4\n1.0\n3.598646 -0.000000 0.000000\n0.000000 6.134760 0.000000\n0.000000 0.000000 6.951997\nTa Fe P\n4 4 4\ndirect\n0.250000 0.522015 0.676237 Ta\n0.250000 0.022015 0.823763 Ta\n0.750001 0.977985 0.176237 Ta\n0.750001 0.477985 0.323763 Ta\n0.750001 0.357882 0.936531 Fe\n0.250000 0.142118 0.436530 Fe\n0.750001 0.857882 0.563470 Fe\n0.250000 0.642118 0.063470 Fe\n0.250000 0.777003 0.380756 P\n0.250000 0.277003 0.119244 P\n0.750001 0.222997 0.619244 P\n0.750001 0.722997 0.880757 P\n","nsites":12,"nelements":3,"elements":["Ta","Fe","P"],"chemical_system":"Fe-P-Ta","density":11.588288018024391,"density_atomic":0.07818707488897847,"volume":153.47805269655333,"volume_molar":7.702220307577848,"formula_full":"Ta4 Fe4 P4","formula_reduced":"TaFeP","formula_anonymous":"ABC","energy_above_hull":3.615836733333334,"spacegroup":62},{"id":"jvasp-90164","created_at":"2022-09-04T14:35:58.880171Z","updated_at":"2022-09-04T14:35:58.880199Z","structure_string":"Si1 N2 F6\n1.0\n0.188218 0.108668 -4.858741\n-2.699459 -4.534718 0.210681\n-2.577453 4.464277 0.000000\nSi N F\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Si\n0.689103 0.465659 0.732830 N\n0.310897 0.534340 0.267170 N\n0.259015 0.790427 0.895214 F\n0.172366 0.230266 0.884750 F\n0.172366 0.230267 0.345517 F\n0.740985 0.209572 0.104786 F\n0.827634 0.769733 0.115250 F\n0.827634 0.769733 0.654483 F\n","nsites":9,"nelements":3,"elements":["Si","N","F"],"chemical_system":"F-N-Si","density":2.453730016967457,"density_atomic":0.07818854741403163,"volume":115.1063716830845,"volume_molar":7.702075251649033,"formula_full":"Si1 N2 F6","formula_reduced":"Si(NF3)2","formula_anonymous":"AB2C6","energy_above_hull":1.5697674216666664,"spacegroup":12},{"id":"jvasp-85844","created_at":"2022-09-04T14:36:06.407163Z","updated_at":"2022-09-04T14:36:06.407198Z","structure_string":"Sm2 Fe17\n1.0\n6.240972 0.033997 0.794405\n0.703953 6.201237 0.794405\n0.037866 0.033997 6.291214\nSm Fe\n2 17\ndirect\n0.344551 0.344552 0.344552 Sm\n0.655448 0.655450 0.655449 Sm\n0.847528 0.335686 0.335686 Fe\n0.152472 0.664315 0.664315 Fe\n0.664314 0.664315 0.152473 Fe\n0.664314 0.152472 0.664315 Fe\n0.290726 0.000000 0.709274 Fe\n-0.000000 0.709275 0.290726 Fe\n0.709274 0.290726 0.000001 Fe\n0.335686 0.335686 0.847528 Fe\n0.290725 0.709275 0.000001 Fe\n-0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.909184 0.909185 0.909185 Fe\n0.090816 0.090816 0.090816 Fe\n0.335685 0.847529 0.335686 Fe\n0.000000 0.290726 0.709274 Fe\n0.709274 0.000000 0.290726 Fe\n","nsites":19,"nelements":2,"elements":["Sm","Fe"],"chemical_system":"Fe-Sm","density":8.542611966232949,"density_atomic":0.07819079686528314,"volume":242.9953493470027,"volume_molar":7.701853672594866,"formula_full":"Sm2 Fe17","formula_reduced":"Sm2Fe17","formula_anonymous":"A2B17","energy_above_hull":4.07868375,"spacegroup":166},{"id":"jvasp-86343","created_at":"2022-09-04T14:35:51.062641Z","updated_at":"2022-09-04T14:35:51.062656Z","structure_string":"Sm2 Fe17\n1.0\n6.240972 0.033997 0.794405\n0.703953 6.201237 0.794405\n0.037866 0.033997 6.291214\nSm Fe\n2 17\ndirect\n0.344551 0.344552 0.344552 Sm\n0.655448 0.655450 0.655449 Sm\n0.847528 0.335686 0.335686 Fe\n0.152472 0.664315 0.664315 Fe\n0.664314 0.664315 0.152473 Fe\n0.664314 0.152472 0.664315 Fe\n0.290726 0.000000 0.709274 Fe\n-0.000000 0.709275 0.290726 Fe\n0.709274 0.290726 0.000001 Fe\n0.335686 0.335686 0.847528 Fe\n0.290725 0.709275 0.000001 Fe\n-0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.909184 0.909185 0.909185 Fe\n0.090816 0.090816 0.090816 Fe\n0.335685 0.847529 0.335686 Fe\n0.000000 0.290726 0.709274 Fe\n0.709274 0.000000 0.290726 Fe\n","nsites":19,"nelements":2,"elements":["Sm","Fe"],"chemical_system":"Fe-Sm","density":8.542611966232949,"density_atomic":0.07819079686528314,"volume":242.9953493470027,"volume_molar":7.701853672594866,"formula_full":"Sm2 Fe17","formula_reduced":"Sm2Fe17","formula_anonymous":"A2B17","energy_above_hull":4.07868375,"spacegroup":166},{"id":"jvasp-74520","created_at":"2022-09-04T14:35:48.668742Z","updated_at":"2022-09-04T14:35:48.668770Z","structure_string":"Be2 Cr1 Sb1\n1.0\n-1.797771 1.797771 3.956962\n1.797771 -1.797771 3.956962\n1.797771 1.797771 -3.956962\nBe Cr Sb\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.500000 Be\n0.500000 0.500000 0.000000 Cr\n0.749999 0.250000 0.500000 Sb\n","nsites":4,"nelements":3,"elements":["Be","Cr","Sb"],"chemical_system":"Be-Cr-Sb","density":6.225336773736951,"density_atomic":0.07819327070311789,"volume":51.155297176237745,"volume_molar":7.701610005373356,"formula_full":"Be2 Cr1 Sb1","formula_reduced":"Be2CrSb","formula_anonymous":"ABC2","energy_above_hull":2.6006264250000006,"spacegroup":119},{"id":"jvasp-102985","created_at":"2022-09-04T14:37:00.007022Z","updated_at":"2022-09-04T14:37:00.007044Z","structure_string":"Sr1 Mg1 O3\n1.0\n3.998820 0.000000 0.000000\n-0.000000 3.998820 0.000000\n-0.000000 -0.000000 3.998820\nSr Mg O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Sr","Mg","O"],"chemical_system":"Mg-O-Sr","density":4.153029366463877,"density_atomic":0.07819418143803418,"volume":63.94337670715696,"volume_molar":7.70152030400409,"formula_full":"Sr1 Mg1 O3","formula_reduced":"SrMgO3","formula_anonymous":"ABC3","energy_above_hull":0.9183753999999996,"spacegroup":221}]}