{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nelements&page=92","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nelements&page=90","results":[{"id":"jvasp-8401","created_at":"2022-09-04T14:37:08.794167Z","updated_at":"2022-09-04T14:37:08.794191Z","structure_string":"Ba1 Y1 Cu1 Sb1 O5\n1.0\n4.132541 0.000000 0.000000\n0.000000 4.132541 -0.000000\n0.000000 0.000000 7.613650\nBa Y Cu Sb O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.013101 Ba\n0.000000 0.000000 0.566791 Y\n0.500000 0.500000 0.724304 Cu\n0.500000 0.500000 0.321135 Sb\n0.500000 0.000000 0.342368 O\n0.000000 0.500000 0.342368 O\n0.500000 0.000000 0.720177 O\n0.000000 0.500000 0.720177 O\n0.500000 0.500000 0.061662 O\n","nsites":9,"nelements":5,"elements":["Ba","Y","Cu","Sb","O"],"chemical_system":"Ba-Cu-O-Sb-Y","density":6.277360141602981,"density_atomic":0.06921739634720353,"volume":130.0251161551183,"volume_molar":8.700328353571916,"formula_full":"Ba1 Y1 Cu1 Sb1 O5","formula_reduced":"BaYCuSbO5","formula_anonymous":"ABCDE5","energy_above_hull":1.8455483855555557,"spacegroup":99},{"id":"jvasp-103541","created_at":"2022-09-04T14:36:36.280636Z","updated_at":"2022-09-04T14:36:36.280664Z","structure_string":"Sr2 Fe2 Se2 O1 F2\n1.0\n3.975639 -0.000000 -0.854862\n-0.183794 3.971410 -0.854754\n0.031347 0.032396 9.817790\nSr Fe Se O F\n2 2 2 1 2\ndirect\n0.673659 0.673651 0.347317 Sr\n0.326343 0.326350 0.652683 Sr\n1.000001 0.500001 0.999999 Fe\n0.500001 0.000002 0.000003 Fe\n0.903574 0.903580 0.807144 Se\n0.096429 0.096421 0.192857 Se\n0.500001 0.500000 0.000000 O\n0.750001 0.249998 0.500001 F\n0.250001 0.750002 0.500000 F\n","nsites":9,"nelements":5,"elements":["Sr","Fe","Se","O","F"],"chemical_system":"F-Fe-O-Se-Sr","density":5.336173636143642,"density_atomic":0.05797712705826631,"volume":155.23363189340355,"volume_molar":10.387097577201128,"formula_full":"Sr2 Fe2 Se2 O1 F2","formula_reduced":"Sr2Fe2Se2OF2","formula_anonymous":"AB2C2D2E2","energy_above_hull":1.1613316020370368,"spacegroup":139},{"id":"jvasp-29129","created_at":"2022-09-04T14:37:28.966833Z","updated_at":"2022-09-04T14:37:28.966868Z","structure_string":"Te2 Mo3 W1 Se4 S2\n1.0\n3.346157 0.000000 -0.000000\n-1.673079 2.897176 0.000486\n-0.000000 0.005611 34.170994\nTe Mo W Se S\n2 3 1 4 2\ndirect\n0.667943 0.335884 0.024674 Te\n0.667722 0.335442 0.135864 Te\n0.334380 0.668759 0.080209 Mo\n0.332891 0.665782 0.476230 Mo\n0.667117 0.334234 0.284102 Mo\n0.665568 0.331137 0.662325 W\n0.333530 0.667062 0.332905 Se\n0.666314 0.332627 0.427465 Se\n0.666116 0.332230 0.525019 Se\n0.333953 0.667909 0.235310 Se\n0.332065 0.664130 0.706935 S\n0.332405 0.664811 0.617710 S\n","nsites":12,"nelements":5,"elements":["Te","Mo","W","Se","S"],"chemical_system":"Mo-S-Se-Te-W","density":5.548188736289209,"density_atomic":0.03622450444371035,"volume":331.2674716819641,"volume_molar":16.624494530650846,"formula_full":"Te2 Mo3 W1 Se4 S2","formula_reduced":"Te2Mo3W(Se2S)2","formula_anonymous":"AB2C2D3E4","energy_above_hull":3.7227988916666663,"spacegroup":156},{"id":"jvasp-11411","created_at":"2022-09-04T14:37:03.906104Z","updated_at":"2022-09-04T14:37:03.906133Z","structure_string":"Sr3 Sc2 Cu2 S2 O5\n1.0\n4.044359 0.000000 -0.626703\n-0.097113 4.043193 -0.626703\n-0.010843 -0.011106 13.293283\nSr Sc Cu S O\n3 2 2 2 5\ndirect\n0.500000 0.500000 0.000000 Sr\n0.644709 0.644707 0.289416 Sr\n0.355293 0.355291 0.710584 Sr\n0.923419 0.923417 0.846836 Sc\n0.076582 0.076582 0.153164 Sc\n0.250001 0.749999 0.500000 Cu\n0.750001 0.249999 0.500000 Cu\n0.802030 0.802028 0.604058 S\n0.197971 0.197970 0.395942 S\n0.000000 0.000000 0.000000 O\n0.413487 0.913484 0.826973 O\n0.913487 0.413485 0.826973 O\n0.086515 0.586514 0.173028 O\n0.586515 0.086514 0.173028 O\n","nsites":14,"nelements":5,"elements":["Sr","Sc","Cu","S","O"],"chemical_system":"Cu-O-S-Sc-Sr","density":4.767968486418981,"density_atomic":0.0644219863145532,"volume":217.3171117643316,"volume_molar":9.34795883286755,"formula_full":"Sr3 Sc2 Cu2 S2 O5","formula_reduced":"Sr3Sc2Cu2S2O5","formula_anonymous":"A2B2C2D3E5","energy_above_hull":1.446281987857143,"spacegroup":139},{"id":"jvasp-107542","created_at":"2022-09-04T14:36:58.314311Z","updated_at":"2022-09-04T14:36:58.314326Z","structure_string":"Na1 La1 Mg1 Te1 O6\n1.0\n4.813287 -0.006006 2.806793\n1.593562 4.541842 2.806793\n0.002347 0.001661 5.596367\nNa La Mg Te O\n1 1 1 1 6\ndirect\n0.751422 0.751420 0.758790 Na\n0.250651 0.250650 0.239866 La\n0.999572 0.999569 0.999064 Mg\n0.501033 0.501032 0.498601 Te\n0.211803 0.698025 0.785895 O\n0.298498 0.788768 0.216299 O\n0.788770 0.298497 0.216298 O\n0.698027 0.211802 0.785895 O\n0.741007 0.741005 0.340957 O\n0.259226 0.259224 0.658331 O\n","nsites":10,"nelements":5,"elements":["Na","La","Mg","Te","O"],"chemical_system":"La-Mg-Na-O-Te","density":5.561693115694874,"density_atomic":0.08173151170067855,"volume":122.35182969112975,"volume_molar":7.3681994064353065,"formula_full":"Na1 La1 Mg1 Te1 O6","formula_reduced":"NaLaMgTeO6","formula_anonymous":"ABCDE6","energy_above_hull":1.6412191816666668,"spacegroup":8},{"id":"jvasp-55743","created_at":"2022-09-04T14:37:04.213657Z","updated_at":"2022-09-04T14:37:04.213685Z","structure_string":"Rb4 Cu2 H8 Cl8 O4\n1.0\n7.572529 -0.000000 0.000000\n-0.000000 7.572529 0.000000\n0.000000 0.000000 8.006481\nRb Cu H Cl O\n4 2 8 8 4\ndirect\n0.500000 0.000000 0.750000 Rb\n0.500000 0.000000 0.250000 Rb\n0.000000 0.500000 0.750000 Rb\n0.000000 0.500000 0.250000 Rb\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.575630 0.424371 0.819174 H\n0.075629 0.075629 0.319174 H\n0.575630 0.424371 0.180826 H\n0.424371 0.575630 0.819174 H\n0.924371 0.924371 0.319174 H\n0.075629 0.075629 0.680826 H\n0.924371 0.924371 0.680826 H\n0.424371 0.575630 0.180826 H\n0.716514 0.283486 0.000000 Cl\n0.785892 0.785892 0.000000 Cl\n0.783486 0.783486 0.500000 Cl\n0.285892 0.714108 0.500000 Cl\n0.214108 0.214108 0.000000 Cl\n0.216514 0.216514 0.500000 Cl\n0.283486 0.716514 0.000000 Cl\n0.714108 0.285892 0.500000 Cl\n0.500000 0.500000 0.253776 O\n0.000000 0.000000 0.246224 O\n0.500000 0.500000 0.746224 O\n0.000000 0.000000 0.753776 O\n","nsites":26,"nelements":5,"elements":["Rb","Cu","H","Cl","O"],"chemical_system":"Cl-Cu-H-O-Rb","density":2.98259515644774,"density_atomic":0.056630419689592176,"volume":459.1172048964774,"volume_molar":10.634109358555186,"formula_full":"Rb4 Cu2 H8 Cl8 O4","formula_reduced":"Rb2CuH4(Cl2O)2","formula_anonymous":"AB2C2D4E4","energy_above_hull":1.153993363076923,"spacegroup":136},{"id":"jvasp-85708","created_at":"2022-09-04T14:35:57.460112Z","updated_at":"2022-09-04T14:35:57.460129Z","structure_string":"K2 Co1 H4 Se2 O10\n1.0\n6.261451 0.017278 -1.757193\n-3.018478 6.748693 -0.859881\n0.061568 -0.002146 5.590242\nK Co H Se O\n2 1 4 2 10\ndirect\n0.678845 0.261918 0.272684 K\n0.321155 0.738081 0.727316 K\n0.000000 0.000000 0.000000 Co\n0.845840 0.607985 0.851348 H\n0.154160 0.392015 0.148652 H\n0.991526 0.689086 0.140624 H\n0.008473 0.310913 0.859376 H\n0.697404 0.774652 0.366992 Se\n0.302596 0.225348 0.633008 Se\n0.577648 0.388518 0.732082 O\n0.422352 0.611482 0.267918 O\n0.116359 0.335239 0.600187 O\n0.883640 0.664760 0.399813 O\n0.729053 0.913590 0.147347 O\n0.746183 0.927102 0.644911 O\n0.270946 0.086409 0.852653 O\n-0.004714 0.711613 0.969130 O\n0.253816 0.072897 0.355089 O\n0.004713 0.288386 0.030869 O\n","nsites":19,"nelements":5,"elements":["K","Co","H","Se","O"],"chemical_system":"Co-H-K-O-Se","density":3.213493256527331,"density_atomic":0.08009358412632427,"volume":237.2224967487164,"volume_molar":7.518880351891645,"formula_full":"K2 Co1 H4 Se2 O10","formula_reduced":"K2CoH4(SeO5)2","formula_anonymous":"AB2C2D4E10","energy_above_hull":2.503645717543859,"spacegroup":2},{"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-54955","created_at":"2022-09-04T14:36:50.442701Z","updated_at":"2022-09-04T14:36:50.442723Z","structure_string":"K1 Mn1 Ag3 C6 N6\n1.0\n3.355144 -5.811279 0.000000\n3.355144 5.811279 -0.000000\n-0.000000 0.000000 7.656023\nK Mn Ag C N\n1 1 3 6 6\ndirect\n0.666666 0.333332 0.000000 K\n0.000000 0.000000 0.000000 Mn\n0.011761 0.505881 0.500000 Ag\n0.494117 0.988238 0.500000 Ag\n0.494118 0.505881 0.500000 Ag\n0.659423 0.990663 0.724153 C\n0.331240 0.340575 0.724153 C\n0.009336 0.340576 0.275846 C\n0.659423 0.668759 0.275846 C\n0.009336 0.668759 0.724153 C\n0.331240 0.990663 0.275846 C\n0.225141 0.995416 0.155904 N\n0.004583 0.229724 0.155904 N\n0.770274 0.995415 0.844095 N\n0.004583 0.774857 0.844095 N\n0.770274 0.774857 0.155904 N\n0.225142 0.229724 0.844095 N\n","nsites":17,"nelements":5,"elements":["K","Mn","Ag","C","N"],"chemical_system":"Ag-C-K-Mn-N","density":3.19118628194902,"density_atomic":0.05694201158087445,"volume":298.5493404260049,"volume_molar":10.575918540297412,"formula_full":"K1 Mn1 Ag3 C6 N6","formula_reduced":"KMnAg3(CN)6","formula_anonymous":"ABC3D6E6","energy_above_hull":5.140370383610548,"spacegroup":149},{"id":"jvasp-97841","created_at":"2022-09-04T14:35:57.407386Z","updated_at":"2022-09-04T14:35:57.407414Z","structure_string":"Sr4 Cr2 Cu2 S2 O6\n1.0\n3.903644 0.000000 -0.000000\n-0.000000 3.903644 0.000000\n0.000000 -0.000000 15.496598\nSr Cr Cu S O\n4 2 2 2 6\ndirect\n0.749999 0.749999 0.184412 Sr\n0.250000 0.250000 0.815588 Sr\n0.749999 0.749999 0.411719 Sr\n0.250000 0.250000 0.588281 Sr\n0.250000 0.250000 0.307901 Cr\n0.749999 0.749999 0.692099 Cr\n0.250000 0.749999 0.000000 Cu\n0.749999 0.250000 0.000000 Cu\n0.749999 0.749999 0.907049 S\n0.250000 0.250000 0.092952 S\n0.749999 0.749999 0.570302 O\n0.250000 0.250000 0.429698 O\n0.250000 0.749999 0.711302 O\n0.250000 0.749999 0.288699 O\n0.749999 0.250000 0.288699 O\n0.749999 0.250000 0.711302 O\n","nsites":16,"nelements":5,"elements":["Sr","Cr","Cu","S","O"],"chemical_system":"Cr-Cu-O-S-Sr","density":5.215489750549483,"density_atomic":0.06775528970382065,"volume":236.14392425950732,"volume_molar":8.888074696934574,"formula_full":"Sr4 Cr2 Cu2 S2 O6","formula_reduced":"Sr2CrCuSO3","formula_anonymous":"ABCD2E3","energy_above_hull":1.5233488712500003,"spacegroup":129},{"id":"jvasp-88328","created_at":"2022-09-04T14:35:57.024266Z","updated_at":"2022-09-04T14:35:57.024287Z","structure_string":"H16 C4 S4 N8 O8\n1.0\n10.096981 0.000000 -0.000000\n0.000000 10.940123 0.000000\n-0.000000 0.000000 3.627706\nH C S N O\n16 4 4 8 8\ndirect\n0.128674 0.752397 0.222334 H\n0.452637 0.617159 0.374982 H\n0.547363 0.882841 0.874982 H\n0.952637 0.382841 0.625020 H\n0.952637 0.882841 0.874982 H\n0.547363 0.382841 0.625020 H\n0.452637 0.117159 0.125019 H\n0.047363 0.117159 0.125019 H\n0.047363 0.617159 0.374982 H\n0.371326 0.752397 0.222334 H\n0.628674 0.747602 0.722335 H\n0.871326 0.247603 0.777667 H\n0.871326 0.747602 0.722335 H\n0.628674 0.247603 0.777667 H\n0.371326 0.252397 0.277666 H\n0.128674 0.252397 0.277666 H\n0.750000 0.387701 0.613702 C\n0.750000 0.887701 0.886300 C\n0.250000 0.612299 0.386299 C\n0.250000 0.112299 0.113701 C\n0.250000 0.961384 0.862130 S\n0.250000 0.461384 0.637872 S\n0.750000 0.038616 0.137871 S\n0.750000 0.538616 0.362130 S\n0.134538 0.164105 0.173267 N\n0.365462 0.664105 0.326734 N\n0.634538 0.835895 0.826734 N\n0.865461 0.335895 0.673267 N\n0.634538 0.335895 0.673267 N\n0.365462 0.164105 0.173267 N\n0.134538 0.664105 0.326734 N\n0.865461 0.835895 0.826734 N\n0.373121 0.902925 0.018919 O\n0.126879 0.902925 0.018919 O\n0.373121 0.402925 0.481082 O\n0.626878 0.097074 0.981082 O\n0.873121 0.597074 0.518920 O\n0.873121 0.097074 0.981082 O\n0.626878 0.597074 0.518920 O\n0.126879 0.402925 0.481082 O\n","nsites":40,"nelements":5,"elements":["H","C","S","N","O"],"chemical_system":"C-H-N-O-S","density":1.7921234926777323,"density_atomic":0.0998192182248609,"volume":400.72443675017314,"volume_molar":6.033047410203149,"formula_full":"H16 C4 S4 N8 O8","formula_reduced":"H4CS(NO)2","formula_anonymous":"ABC2D2E4","energy_above_hull":3.94656235,"spacegroup":62},{"id":"jvasp-29119","created_at":"2022-09-04T14:37:08.816857Z","updated_at":"2022-09-04T14:37:08.816868Z","structure_string":"Te2 Mo2 W2 Se4 S2\n1.0\n3.345557 0.000008 -0.000791\n-1.672772 2.897318 0.000778\n-0.008131 0.004188 33.624722\nTe Mo W Se S\n2 2 2 4 2\ndirect\n0.664906 0.331167 0.024869 Te\n0.665290 0.330733 0.137969 Te\n0.331749 0.664288 0.081351 Mo\n0.333150 0.665979 0.471504 Mo\n0.667038 0.334337 0.282762 W\n0.667993 0.335240 0.667281 W\n0.334914 0.668534 0.717060 Se\n0.666338 0.332961 0.421940 Se\n0.666667 0.332588 0.521073 Se\n0.334508 0.668776 0.617431 Se\n0.333809 0.667393 0.328122 S\n0.333654 0.668017 0.237388 S\n","nsites":12,"nelements":5,"elements":["Te","Mo","W","Se","S"],"chemical_system":"Mo-S-Se-Te-W","density":6.086883623025406,"density_atomic":0.03681776131537535,"volume":325.92964838926036,"volume_molar":16.356618503811944,"formula_full":"Te2 Mo2 W2 Se4 S2","formula_reduced":"TeMoWSe2S","formula_anonymous":"ABCDE2","energy_above_hull":3.526921733333334,"spacegroup":156}]}