{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=108","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=106","results":[{"id":"jvasp-108718","created_at":"2022-09-04T14:38:17.400584Z","updated_at":"2022-09-04T14:38:17.400605Z","structure_string":"Zn1 Cu2 Sn1 Se1 S3\n1.0\n5.048469 0.001295 -2.266345\n-1.004475 4.938192 -2.267540\n-0.007184 0.008771 6.782914\nZn Cu Sn Se S\n1 2 1 1 3\ndirect\n0.245914 0.763635 0.504803 Zn\n0.977505 0.980767 0.983893 Cu\n0.773393 0.246137 0.514141 Cu\n0.503694 0.506272 0.998536 Sn\n0.369721 0.358712 0.261288 Se\n0.888718 0.898307 0.257427 S\n0.106995 0.631243 0.740140 S\n0.634069 0.114921 0.739767 S\n","nsites":8,"nelements":5,"elements":["Zn","Cu","Sn","Se","S"],"chemical_system":"Cu-S-Se-Sn-Zn","density":4.774665708561909,"density_atomic":0.04729559054513124,"volume":169.1489609875174,"volume_molar":12.73298565593223,"formula_full":"Zn1 Cu2 Sn1 Se1 S3","formula_reduced":"ZnCu2SnSeS3","formula_anonymous":"ABCD2E3","energy_above_hull":0.6759432958333333,"spacegroup":1},{"id":"jvasp-11046","created_at":"2022-09-04T14:37:19.707826Z","updated_at":"2022-09-04T14:37:19.707836Z","structure_string":"Sr4 Mn2 Cu2 S2 O6\n1.0\n3.877164 0.000000 -0.000000\n-0.000000 3.877164 -0.000000\n0.000000 0.000000 15.832524\nSr Mn Cu S O\n4 2 2 2 6\ndirect\n0.500000 0.000000 0.184270 Sr\n0.000000 0.500000 0.815730 Sr\n0.500000 0.000000 0.413700 Sr\n0.000000 0.500000 0.586300 Sr\n0.000000 0.500000 0.305932 Mn\n0.500000 0.000000 0.694068 Mn\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.092040 S\n0.500000 0.000000 0.907960 S\n0.500000 0.500000 0.288580 O\n0.000000 0.000000 0.288580 O\n0.000000 0.000000 0.711420 O\n0.500000 0.500000 0.711420 O\n0.000000 0.500000 0.430437 O\n0.500000 0.000000 0.569563 O\n","nsites":16,"nelements":5,"elements":["Sr","Mn","Cu","S","O"],"chemical_system":"Cu-Mn-O-S-Sr","density":5.215849750362551,"density_atomic":0.0672266521893736,"volume":238.0008445895673,"volume_molar":8.957966169482866,"formula_full":"Sr4 Mn2 Cu2 S2 O6","formula_reduced":"Sr2MnCuSO3","formula_anonymous":"ABCD2E3","energy_above_hull":1.453163851422414,"spacegroup":129},{"id":"jvasp-11755","created_at":"2022-09-04T14:37:07.622295Z","updated_at":"2022-09-04T14:37:07.622307Z","structure_string":"Ba2 Mn2 C2 O6 F4\n1.0\n2.477100 -4.290461 -0.000000\n2.477099 4.290462 0.000000\n-0.000000 -0.000000 9.820429\nBa Mn C O F\n2 2 2 6 4\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.250000 Mn\n0.333333 0.666667 0.750000 Mn\n0.333333 0.666667 0.250000 C\n0.666667 0.333333 0.750000 C\n0.879479 0.254785 0.750000 O\n0.254785 0.375306 0.250000 O\n0.745215 0.624695 0.750000 O\n0.120521 0.745215 0.250000 O\n0.375306 0.120521 0.750000 O\n0.624695 0.879479 0.250000 O\n0.333333 0.666667 0.540435 F\n0.666667 0.333333 0.040435 F\n0.333333 0.666667 0.959565 F\n0.666667 0.333333 0.459565 F\n","nsites":16,"nelements":5,"elements":["Ba","Mn","C","O","F"],"chemical_system":"Ba-C-F-Mn-O","density":4.618218254781259,"density_atomic":0.07664998355133722,"volume":208.74107545351023,"volume_molar":7.856675867342622,"formula_full":"Ba2 Mn2 C2 O6 F4","formula_reduced":"BaMnCO3F2","formula_anonymous":"ABCD2E3","energy_above_hull":2.161804284547414,"spacegroup":176},{"id":"jvasp-85712","created_at":"2022-09-04T14:35:47.487165Z","updated_at":"2022-09-04T14:35:47.487188Z","structure_string":"Ca2 H4 C2 Cl2 O6\n1.0\n-3.426670 3.668058 3.949487\n3.479022 -3.668058 3.481189\n3.426670 3.668058 -3.949487\nCa H C Cl O\n2 4 2 2 6\ndirect\n0.863983 0.113907 0.249926 Ca\n0.136018 0.886093 0.750074 Ca\n0.816127 0.154236 0.786693 H\n0.632456 0.845764 0.661891 H\n0.183873 0.845764 0.213307 H\n0.367544 0.154236 0.338110 H\n0.394176 0.500000 0.894176 C\n0.605824 0.500000 0.105824 C\n0.237454 0.592152 0.354698 Cl\n0.762547 0.407848 0.645302 Cl\n0.428029 0.730279 0.935670 O\n0.205390 0.269721 0.697749 O\n0.571972 0.269721 0.064330 O\n0.794610 0.730279 0.302251 O\n0.807833 -0.000000 0.807833 O\n0.192168 -0.000000 0.192168 O\n","nsites":16,"nelements":5,"elements":["Ca","H","C","Cl","O"],"chemical_system":"C-Ca-Cl-H-O","density":2.4259328155572826,"density_atomic":0.08496514734393705,"volume":188.31250813033196,"volume_molar":7.087777692684397,"formula_full":"Ca2 H4 C2 Cl2 O6","formula_reduced":"CaH2CClO3","formula_anonymous":"ABCD2E3","energy_above_hull":2.4127743734375,"spacegroup":12},{"id":"jvasp-9492","created_at":"2022-09-04T14:38:31.045782Z","updated_at":"2022-09-04T14:38:31.045819Z","structure_string":"Sr4 Cr2 Cu2 S2 O6\n1.0\n3.908997 0.000000 0.000000\n0.000000 3.908997 0.000000\n0.000000 -0.000000 15.523643\nSr Cr Cu S O\n4 2 2 2 6\ndirect\n0.500000 0.000000 0.184591 Sr\n0.000000 0.500000 0.815409 Sr\n0.500000 0.000000 0.411715 Sr\n0.000000 0.500000 0.588285 Sr\n0.000000 0.500000 0.307983 Cr\n0.500000 0.000000 0.692017 Cr\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.092914 S\n0.500000 0.000000 0.907086 S\n0.500000 0.500000 0.288847 O\n0.000000 0.000000 0.288847 O\n0.000000 0.000000 0.711153 O\n0.500000 0.500000 0.711153 O\n0.000000 0.500000 0.429640 O\n0.500000 0.000000 0.570359 O\n","nsites":16,"nelements":5,"elements":["Sr","Cr","Cu","S","O"],"chemical_system":"Cr-Cu-O-S-Sr","density":5.192153835772014,"density_atomic":0.06745212897647294,"volume":237.20526309229976,"volume_molar":8.928021770966637,"formula_full":"Sr4 Cr2 Cu2 S2 O6","formula_reduced":"Sr2CrCuSO3","formula_anonymous":"ABCD2E3","energy_above_hull":1.5254463712500002,"spacegroup":129},{"id":"jvasp-112090","created_at":"2022-09-04T14:38:42.577814Z","updated_at":"2022-09-04T14:38:42.577834Z","structure_string":"H6 C4 S2 N2 O2\n1.0\n5.422659 0.066672 0.726099\n2.409676 5.130241 1.555098\n0.039060 -0.116035 6.093504\nH C S N O\n6 4 2 2 2\ndirect\n0.937974 0.076248 0.889239 H\n0.437975 0.576252 0.389240 H\n0.659307 0.086445 0.750090 H\n0.159310 0.586443 0.250093 H\n0.163659 0.125835 0.533990 H\n0.663662 0.625834 0.033993 H\n0.808798 0.164801 0.740450 C\n0.308800 0.664801 0.240451 C\n0.939672 0.012952 0.384448 C\n0.439674 0.512951 0.884449 C\n0.668473 0.966544 0.360588 S\n0.168474 0.466545 0.860588 S\n0.976577 0.123316 0.539673 N\n0.476579 0.623315 0.039675 N\n0.161735 0.946221 0.236475 O\n0.661737 0.446219 0.736477 O\n","nsites":16,"nelements":5,"elements":["H","C","S","N","O"],"chemical_system":"C-H-N-O-S","density":1.749459144940349,"density_atomic":0.09457741727522738,"volume":169.17357717052897,"volume_molar":6.367419341210301,"formula_full":"H6 C4 S2 N2 O2","formula_reduced":"H3C2SNO","formula_anonymous":"ABCD2E3","energy_above_hull":4.23164584375,"spacegroup":1},{"id":"jvasp-112101","created_at":"2022-09-04T14:38:42.906415Z","updated_at":"2022-09-04T14:38:42.906443Z","structure_string":"H2 C6 S2 N2 O4\n1.0\n4.867048 0.057081 0.555808\n1.946292 6.117018 1.367133\n0.001782 -0.095634 6.470801\nH C S N O\n2 6 2 2 4\ndirect\n0.211814 0.178614 0.605224 H\n0.711817 0.678614 0.105223 H\n0.669337 0.244415 0.721220 C\n0.410226 0.214016 0.860210 C\n0.169340 0.744415 0.221220 C\n0.910230 0.714015 0.360210 C\n0.393096 0.785255 0.337375 C\n0.893093 0.285255 0.837376 C\n0.699982 0.245104 0.468540 S\n0.199985 0.745105 0.968539 S\n0.174996 0.218343 0.753877 N\n0.674999 0.718344 0.253876 N\n0.322030 0.880616 0.489800 O\n0.822027 0.380617 0.989800 O\n0.409934 0.179855 0.053156 O\n0.909938 0.679853 0.553154 O\n","nsites":16,"nelements":5,"elements":["H","C","S","N","O"],"chemical_system":"C-H-N-O-S","density":1.9863858511108357,"density_atomic":0.08313605480920006,"volume":192.45560830040012,"volume_molar":7.243717270227712,"formula_full":"H2 C6 S2 N2 O4","formula_reduced":"HC3SNO2","formula_anonymous":"ABCD2E3","energy_above_hull":4.70525628125,"spacegroup":1},{"id":"jvasp-103814","created_at":"2022-09-04T14:36:52.971144Z","updated_at":"2022-09-04T14:36:52.971175Z","structure_string":"H6 C4 S2 N2 O2\n1.0\n4.167958 0.067750 0.135451\n1.943747 6.206531 0.178332\n-0.101585 -0.242082 6.816741\nH C S N O\n6 4 2 2 2\ndirect\n0.895900 0.967169 0.157218 H\n0.895902 0.467169 0.657214 H\n0.657599 0.869176 0.332894 H\n0.657601 0.369179 0.832893 H\n0.171987 0.777864 0.537813 H\n0.171994 0.277865 0.037810 H\n0.915717 0.852149 0.276744 C\n0.915719 0.352151 0.776743 C\n0.080203 0.124435 0.699983 C\n0.080203 0.624434 0.199982 C\n0.364186 0.933689 0.817170 S\n0.364186 0.433688 0.317168 S\n0.138099 0.890562 0.427996 N\n0.138102 0.390566 0.927992 N\n0.960141 0.098782 0.523448 O\n0.960141 0.598783 0.023447 O\n","nsites":16,"nelements":5,"elements":["H","C","S","N","O"],"chemical_system":"C-H-N-O-S","density":1.685031646154789,"density_atomic":0.0910944057089019,"volume":175.64196039797483,"volume_molar":6.610878805493437,"formula_full":"H6 C4 S2 N2 O2","formula_reduced":"H3C2SNO","formula_anonymous":"ABCD2E3","energy_above_hull":4.25771459375,"spacegroup":1},{"id":"jvasp-104904","created_at":"2022-09-04T14:36:48.537532Z","updated_at":"2022-09-04T14:36:48.537558Z","structure_string":"Zn1 Cu2 Sn1 Se3 S1\n1.0\n5.184476 0.004860 -2.307184\n-1.049629 5.082820 -2.314085\n0.016313 0.000896 6.939852\nZn Cu Sn Se S\n1 2 1 3 1\ndirect\n0.254174 0.736833 0.495417 Zn\n0.022713 0.018106 0.014869 Cu\n0.725805 0.253920 0.486240 Cu\n0.496853 0.494162 0.001824 Sn\n0.890642 0.898108 0.263086 Se\n0.097162 0.627325 0.739618 Se\n0.642012 0.105510 0.740042 Se\n0.370642 0.366038 0.258911 S\n","nsites":8,"nelements":5,"elements":["Zn","Cu","Sn","Se","S"],"chemical_system":"Cu-S-Se-Sn-Zn","density":5.2609700720021815,"density_atomic":0.04368797677685755,"volume":183.11674264205732,"volume_molar":13.784434996289544,"formula_full":"Zn1 Cu2 Sn1 Se3 S1","formula_reduced":"ZnCu2SnSe3S","formula_anonymous":"ABCD2E3","energy_above_hull":0.5369816375,"spacegroup":1},{"id":"jvasp-101372","created_at":"2022-09-04T14:36:31.669246Z","updated_at":"2022-09-04T14:36:31.669271Z","structure_string":"Rb4 Er4 Se4 Cl8 O12\n1.0\n6.511818 0.000000 -0.815699\n0.000000 6.926431 0.000000\n-0.012108 0.000000 16.615293\nRb Er Se Cl O\n4 4 4 8 12\ndirect\n0.177675 0.198958 0.940092 Rb\n0.677676 0.301042 0.440092 Rb\n0.822325 0.801042 0.059908 Rb\n0.322325 0.698958 0.559907 Rb\n0.876647 0.653257 0.740402 Er\n0.623353 0.153257 0.759598 Er\n0.123353 0.346743 0.259598 Er\n0.376647 0.846743 0.240402 Er\n0.923590 0.841232 0.297518 Se\n0.423589 0.658768 0.797518 Se\n0.576411 0.341232 0.202482 Se\n0.076410 0.158768 0.702482 Se\n0.674362 0.135681 0.918766 Cl\n0.493494 0.162211 0.604020 Cl\n0.993494 0.337789 0.104020 Cl\n0.006506 0.662211 0.895979 Cl\n0.325638 0.864319 0.081234 Cl\n0.825638 0.635681 0.581233 Cl\n0.506506 0.837789 0.395979 Cl\n0.174362 0.364319 0.418766 Cl\n0.423674 0.169768 0.243251 O\n0.716838 0.851633 0.225295 O\n0.919713 0.975948 0.732208 O\n0.419713 0.524051 0.232208 O\n0.923674 0.330232 0.743251 O\n0.576326 0.830232 0.756749 O\n0.080287 0.024051 0.267792 O\n0.216837 0.648367 0.725295 O\n0.076326 0.669768 0.256749 O\n0.580287 0.475949 0.767792 O\n0.283162 0.148367 0.774705 O\n0.783163 0.351633 0.274705 O\n","nsites":32,"nelements":5,"elements":["Rb","Er","Se","Cl","O"],"chemical_system":"Cl-Er-O-Rb-Se","density":3.9940314217137,"density_atomic":0.042704127565326246,"volume":749.3420852831683,"volume_molar":14.102010984272388,"formula_full":"Rb4 Er4 Se4 Cl8 O12","formula_reduced":"RbErSeCl2O3","formula_anonymous":"ABCD2E3","energy_above_hull":1.0817215002083334,"spacegroup":14},{"id":"jvasp-119290","created_at":"2022-09-04T14:38:48.790093Z","updated_at":"2022-09-04T14:38:48.790132Z","structure_string":"Sr4 Mn2 Cu2 S2 O6\n1.0\n3.871816 -0.000000 0.000000\n0.000000 3.871816 0.000000\n-0.000000 -0.000000 15.805256\nSr Mn Cu S O\n4 2 2 2 6\ndirect\n-0.000000 0.500000 0.184118 Sr\n0.500000 0.000000 0.815882 Sr\n-0.000000 0.500000 0.413685 Sr\n0.500000 0.000000 0.586316 Sr\n0.500000 0.000000 0.305826 Mn\n-0.000000 0.500000 0.694175 Mn\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 -0.000000 Cu\n0.500000 0.000000 0.092106 S\n-0.000000 0.500000 0.907895 S\n0.000000 0.000000 0.288499 O\n0.500000 0.500000 0.288499 O\n0.500000 0.500000 0.711501 O\n0.000000 0.000000 0.711501 O\n0.500000 0.000000 0.430423 O\n-0.000000 0.500000 0.569577 O\n","nsites":16,"nelements":5,"elements":["Sr","Mn","Cu","S","O"],"chemical_system":"Cu-Mn-O-S-Sr","density":5.239292147491067,"density_atomic":0.06752879928978316,"volume":236.93594685935335,"volume_molar":8.917885144318163,"formula_full":"Sr4 Mn2 Cu2 S2 O6","formula_reduced":"Sr2MnCuSO3","formula_anonymous":"ABCD2E3","energy_above_hull":1.4510651014224138,"spacegroup":129},{"id":"jvasp-10687","created_at":"2022-09-04T14:37:06.542649Z","updated_at":"2022-09-04T14:37:06.542678Z","structure_string":"Ba2 Ga2 B2 O6 F4\n1.0\n2.464748 -4.269068 -0.000000\n2.464748 4.269068 0.000000\n0.000000 0.000000 9.624282\nBa Ga B O F\n2 2 2 6 4\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.666668 0.333333 0.750000 Ga\n0.333333 0.666668 0.250000 Ga\n0.333333 0.666668 0.750000 B\n0.666668 0.333333 0.250000 B\n0.066326 0.375080 0.750000 O\n0.308754 0.933675 0.750000 O\n0.375080 0.308754 0.250000 O\n0.691247 0.066326 0.250000 O\n0.624921 0.691247 0.750000 O\n0.933675 0.624921 0.250000 O\n0.666668 0.333333 0.957016 F\n0.333333 0.666668 0.457016 F\n0.666668 0.333333 0.542984 F\n0.333333 0.666668 0.042984 F\n","nsites":16,"nelements":5,"elements":["Ba","Ga","B","O","F"],"chemical_system":"B-Ba-F-Ga-O","density":4.982450444498425,"density_atomic":0.07899799190374189,"volume":202.53679384022584,"volume_molar":7.623156759905881,"formula_full":"Ba2 Ga2 B2 O6 F4","formula_reduced":"BaGaBO3F2","formula_anonymous":"ABCD2E3","energy_above_hull":1.1891002429166666,"spacegroup":176}]}