{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=4599","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=4597","results":[{"id":"jvasp-28506","created_at":"2022-09-04T14:36:04.523975Z","updated_at":"2022-09-04T14:36:04.524000Z","structure_string":"Te2 Mo1 W2 Se2 S2\n1.0\n3.350600 0.000000 -0.000000\n-1.675299 2.901688 -0.000029\n-0.000000 -0.000282 29.702367\nTe Mo W Se S\n2 1 2 2 2\ndirect\n0.333330 0.666660 0.408286 Te\n0.333302 0.666603 0.280340 Te\n0.666649 0.333298 0.344346 Mo\n0.333312 0.666625 0.117276 W\n0.333352 0.666703 0.579359 W\n0.666690 0.333380 0.522963 Se\n0.666676 0.333350 0.635658 Se\n0.666653 0.333303 0.066010 S\n0.666642 0.333284 0.168603 S\n","nsites":9,"nelements":5,"elements":["Te","Mo","W","Se","S"],"chemical_system":"Mo-S-Se-Te-W","density":5.410212965818441,"density_atomic":0.0311657908421945,"volume":288.7781685236477,"volume_molar":19.322919769604535,"formula_full":"Te2 Mo1 W2 Se2 S2","formula_reduced":"Te2MoW2(SeS)2","formula_anonymous":"AB2C2D2E2","energy_above_hull":3.92600424074074,"spacegroup":156},{"id":"jvasp-42756","created_at":"2022-09-04T14:35:51.867220Z","updated_at":"2022-09-04T14:35:51.867236Z","structure_string":"Li4 Ti3 Fe3 Ni2 O16\n1.0\n5.720309 -0.025324 -0.055332\n2.833907 4.969024 -0.054619\n-0.014987 -0.011580 9.482227\nLi Ti Fe Ni O\n4 3 3 2 16\ndirect\n0.325269 0.325232 0.106699 Li\n0.013792 0.013953 0.005002 Li\n0.013180 0.013278 0.501491 Li\n0.659873 0.659792 0.602082 Li\n0.164598 0.661224 0.785234 Ti\n0.661123 0.164242 0.785251 Ti\n0.833374 0.833352 0.286411 Ti\n0.343830 0.824601 0.287029 Fe\n0.824595 0.343826 0.287023 Fe\n0.170703 0.170971 0.788059 Fe\n0.332838 0.332886 0.508971 Ni\n0.666533 0.666498 0.015300 Ni\n0.839985 0.840009 0.900350 O\n0.328165 0.843994 0.895820 O\n0.664891 0.664927 0.396878 O\n0.956828 0.511137 0.163362 O\n0.511196 0.956786 0.163366 O\n0.163298 0.163331 0.388051 O\n0.471938 0.030576 0.663545 O\n0.478525 0.478504 0.661792 O\n0.678351 0.167410 0.397862 O\n0.005649 0.005590 0.189069 O\n0.001614 0.001715 0.684984 O\n0.334704 0.334853 0.900870 O\n0.513047 0.512994 0.170424 O\n0.167371 0.678392 0.397869 O\n0.030594 0.471977 0.663567 O\n0.843847 0.328247 0.895805 O\n","nsites":28,"nelements":5,"elements":["Li","Ti","Fe","Ni","O"],"chemical_system":"Fe-Li-Ni-O-Ti","density":4.377353661470241,"density_atomic":0.10362666636163277,"volume":270.20072133061353,"volume_molar":5.811381347523176,"formula_full":"Li4 Ti3 Fe3 Ni2 O16","formula_reduced":"Li4Ti3Fe3(NiO8)2","formula_anonymous":"A2B3C3D4E16","energy_above_hull":2.9137140107142856,"spacegroup":8},{"id":"jvasp-90116","created_at":"2022-09-04T14:35:55.192784Z","updated_at":"2022-09-04T14:35:55.192813Z","structure_string":"Sr2 Cu1 Ag2 S2 O2\n1.0\n3.908766 -0.000000 -0.862319\n-0.190237 3.904135 -0.862319\n0.180428 0.189435 10.107941\nSr Cu Ag S O\n2 1 2 2 2\ndirect\n0.586365 0.586364 0.172728 Sr\n0.413636 0.413634 0.827271 Sr\n0.000000 0.000000 0.000000 Cu\n0.750001 0.249999 0.500000 Ag\n0.250000 0.749999 0.500000 Ag\n0.843899 0.843897 0.687797 S\n0.156101 0.156101 0.312202 S\n0.500001 0.000000 -0.000000 O\n-0.000000 0.499999 -0.000000 O\n","nsites":9,"nelements":5,"elements":["Sr","Cu","Ag","S","O"],"chemical_system":"Ag-Cu-O-S-Sr","density":5.879194638148394,"density_atomic":0.057867491999912105,"volume":155.52773567607994,"volume_molar":10.406776848060302,"formula_full":"Sr2 Cu1 Ag2 S2 O2","formula_reduced":"Sr2CuAg2(SO)2","formula_anonymous":"AB2C2D2E2","energy_above_hull":0.6962093988888887,"spacegroup":139},{"id":"jvasp-91487","created_at":"2022-09-04T14:36:05.496143Z","updated_at":"2022-09-04T14:36:05.496162Z","structure_string":"Li8 Be6 As6 Cl2 O24\n1.0\n8.279692 -0.000000 0.000000\n-0.000000 8.279692 -0.000000\n-0.000000 -0.000000 8.279692\nLi Be As Cl O\n8 6 6 2 24\ndirect\n0.830509 0.830509 0.169491 Li\n0.330509 0.330509 0.669491 Li\n0.169491 0.169491 0.169491 Li\n0.669491 0.669491 0.669491 Li\n0.830509 0.169491 0.830509 Li\n0.330509 0.669491 0.330509 Li\n0.169491 0.830509 0.830509 Li\n0.669491 0.330509 0.330509 Li\n0.750000 0.000000 0.500000 Be\n0.000000 0.500000 0.750000 Be\n0.500000 0.250000 0.000000 Be\n0.500000 0.750000 0.000000 Be\n0.250000 0.000000 0.500000 Be\n0.000000 0.500000 0.250000 Be\n0.500000 0.000000 0.750000 As\n0.750000 0.500000 0.000000 As\n0.000000 0.750000 0.500000 As\n0.250000 0.500000 0.000000 As\n0.000000 0.250000 0.500000 As\n0.500000 0.000000 0.250000 As\n0.500000 0.500000 0.500000 Cl\n0.000000 0.000000 0.000000 Cl\n0.097607 0.634068 0.358555 O\n0.597607 0.141445 0.865932 O\n0.634068 0.641445 0.902393 O\n0.641445 0.902393 0.634068 O\n0.858555 0.134068 0.597607 O\n0.634068 0.358555 0.097607 O\n0.641445 0.097607 0.365932 O\n0.402393 0.858555 0.865932 O\n0.902393 0.634068 0.641445 O\n0.402393 0.141445 0.134068 O\n0.365932 0.358555 0.902393 O\n0.097607 0.365932 0.641445 O\n0.902393 0.365932 0.358555 O\n0.858555 0.865932 0.402393 O\n0.358555 0.097607 0.634068 O\n0.865932 0.402393 0.858555 O\n0.865932 0.597607 0.141445 O\n0.358555 0.902393 0.365932 O\n0.141445 0.134068 0.402393 O\n0.134068 0.402393 0.141445 O\n0.597607 0.858555 0.134068 O\n0.365932 0.641445 0.097607 O\n0.134068 0.597607 0.858555 O\n0.141445 0.865932 0.597607 O\n","nsites":46,"nelements":5,"elements":["Li","Be","As","Cl","O"],"chemical_system":"As-Be-Cl-Li-O","density":2.966566275520509,"density_atomic":0.08104295855030896,"volume":567.6002063947927,"volume_molar":7.430800735466291,"formula_full":"Li8 Be6 As6 Cl2 O24","formula_reduced":"Li4Be3As3ClO12","formula_anonymous":"AB3C3D4E12","energy_above_hull":2.359265200760869,"spacegroup":218},{"id":"jvasp-88718","created_at":"2022-09-04T14:36:01.457956Z","updated_at":"2022-09-04T14:36:01.457981Z","structure_string":"Rb2 Bi2 C8 S8 N8\n1.0\n6.459106 0.000000 0.000000\n0.000000 7.661090 0.000000\n0.000000 0.000000 11.137638\nRb Bi C S N\n2 2 8 8 8\ndirect\n0.658673 0.000000 0.500000 Rb\n0.341328 0.500000 0.000000 Rb\n0.003163 0.000000 0.000000 Bi\n-0.003163 0.500000 0.500000 Bi\n0.557732 0.539496 0.633313 C\n0.115199 0.799593 0.743253 C\n0.557732 0.460504 0.366687 C\n0.442268 0.039496 0.866687 C\n0.115199 0.200407 0.256747 C\n0.442268 0.960504 0.133313 C\n0.884801 0.700407 0.243253 C\n0.884801 0.299593 0.756747 C\n0.629217 0.086980 0.173510 S\n0.370784 0.586980 0.326490 S\n0.847429 0.658541 0.102368 S\n0.847429 0.341459 0.897632 S\n0.152572 0.158541 0.397632 S\n0.152572 0.841459 0.602369 S\n0.370784 0.413020 0.673510 S\n0.629217 0.913020 0.826490 S\n0.089368 0.773216 0.847368 N\n0.910633 0.726784 0.347368 N\n0.700853 0.372173 0.396587 N\n0.700853 0.627827 0.603413 N\n0.299148 0.127827 0.896587 N\n0.910633 0.273216 0.652633 N\n0.089368 0.226784 0.152632 N\n0.299148 0.872173 0.103413 N\n","nsites":28,"nelements":5,"elements":["Rb","Bi","C","S","N"],"chemical_system":"Bi-C-N-Rb-S","density":3.174318374762096,"density_atomic":0.05080447374029257,"volume":551.132566457301,"volume_molar":11.85356390223543,"formula_full":"Rb2 Bi2 C8 S8 N8","formula_reduced":"RbBiC4(SN)4","formula_anonymous":"ABC4D4E4","energy_above_hull":4.613802664285714,"spacegroup":18},{"id":"jvasp-48932","created_at":"2022-09-04T14:35:52.588779Z","updated_at":"2022-09-04T14:35:52.588809Z","structure_string":"Li3 V1 Cr1 P4 O14\n1.0\n4.942688 -0.007049 0.022689\n-2.258042 6.635253 -0.010769\n-0.021402 -0.078883 8.180230\nLi V Cr P O\n3 1 1 4 14\ndirect\n0.829131 0.341626 0.137896 Li\n0.284692 0.092379 0.335758 Li\n0.167264 0.661842 0.648065 Li\n0.793840 0.277505 0.506680 V\n0.216066 0.727485 0.995185 Cr\n0.596348 0.477959 0.823477 P\n0.797105 0.913662 0.206607 P\n0.210744 0.082384 0.717254 P\n0.394673 0.522671 0.316375 P\n0.196828 0.497371 0.462993 O\n0.234780 0.512102 0.154853 O\n0.381753 0.593897 0.822596 O\n0.613603 0.912981 0.059327 O\n0.621678 0.745639 0.336620 O\n0.417798 0.241374 0.845943 O\n0.799113 0.525551 0.970498 O\n0.562530 0.371183 0.313060 O\n0.753526 0.499619 0.660156 O\n0.139444 0.879961 0.803198 O\n0.876632 0.113389 0.304280 O\n0.952288 0.147123 0.685081 O\n0.383126 0.080125 0.559295 O\n0.082668 0.877266 0.173699 O\n","nsites":23,"nelements":5,"elements":["Li","V","Cr","P","O"],"chemical_system":"Cr-Li-O-P-V","density":2.9206940817296223,"density_atomic":0.08577238858659052,"volume":268.15156228021584,"volume_molar":7.0210715350668105,"formula_full":"Li3 V1 Cr1 P4 O14","formula_reduced":"Li3VCr(P2O7)2","formula_anonymous":"ABC3D4E14","energy_above_hull":3.04739967826087,"spacegroup":1},{"id":"jvasp-97662","created_at":"2022-09-04T14:35:55.311094Z","updated_at":"2022-09-04T14:35:55.311121Z","structure_string":"Na4 Li4 H16 C8 O20\n1.0\n6.788233 -0.058049 -0.982119\n-0.640548 7.603407 -2.838634\n0.299767 0.023287 10.252358\nNa Li H C O\n4 4 16 8 20\ndirect\n0.407599 0.139553 0.645664 Na\n0.592401 0.860448 0.354337 Na\n0.902794 0.147780 0.649178 Na\n0.097206 0.852220 0.350823 Na\n0.214417 0.427975 0.856189 Li\n0.785582 0.572026 0.143812 Li\n0.676971 0.872255 0.798725 Li\n0.323029 0.127746 0.201276 Li\n0.305860 0.793148 0.973219 H\n0.694139 0.206852 0.026782 H\n0.862298 0.036328 0.128793 H\n0.137702 0.963672 0.871208 H\n0.672658 0.418859 0.513868 H\n0.327341 0.581142 0.486133 H\n0.967009 0.614034 0.500152 H\n0.032990 0.385967 0.499848 H\n0.131636 0.534276 0.163176 H\n0.932573 0.569917 0.740503 H\n0.868363 0.465725 0.836825 H\n0.562987 0.442086 0.270685 H\n0.437013 0.557915 0.729316 H\n0.447997 0.526803 0.168889 H\n0.552003 0.473198 0.831111 H\n0.067427 0.430084 0.259497 H\n0.798450 0.897840 0.092811 C\n0.296370 0.756626 0.066863 C\n0.703630 0.243375 0.933138 C\n0.201550 0.102160 0.907190 C\n0.903598 0.733666 0.566180 C\n0.376808 0.716619 0.559843 C\n0.096402 0.266334 0.433821 C\n0.623192 0.283382 0.440157 C\n0.564703 0.546426 0.239693 O\n0.435296 0.453575 0.760308 O\n0.267167 0.593410 0.046055 O\n0.732833 0.406591 0.953945 O\n0.316187 0.878938 0.186124 O\n0.683812 0.121063 0.813876 O\n0.714856 0.827021 0.968779 O\n0.285144 0.172980 0.031222 O\n0.817791 0.823424 0.184373 O\n0.182209 0.176577 0.815628 O\n0.436666 0.735485 0.686446 O\n0.631038 0.161101 0.489570 O\n0.368962 0.838900 0.510431 O\n0.874442 0.741406 0.688054 O\n0.125558 0.258595 0.311947 O\n0.867655 0.849042 0.512219 O\n0.132345 0.150959 0.487781 O\n0.960435 0.466536 0.769115 O\n0.563333 0.264516 0.313555 O\n0.039565 0.533465 0.230886 O\n","nsites":52,"nelements":5,"elements":["Na","Li","H","C","O"],"chemical_system":"C-H-Li-Na-O","density":1.7242435335112647,"density_atomic":0.09783039234062818,"volume":531.5321625098381,"volume_molar":6.155695194425845,"formula_full":"Na4 Li4 H16 C8 O20","formula_reduced":"NaLiH4C2O5","formula_anonymous":"ABC2D4E5","energy_above_hull":3.1503305000000004,"spacegroup":2},{"id":"jvasp-106122","created_at":"2022-09-04T14:36:01.450594Z","updated_at":"2022-09-04T14:36:01.450619Z","structure_string":"Ca1 La1 V1 Fe1 O6\n1.0\n4.651139 0.000000 2.685336\n1.550380 4.385136 2.685336\n-0.000000 0.000000 5.370673\nCa La V Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750001 0.750000 Ca\n0.250000 0.250000 0.250000 La\n0.500000 0.500001 0.500000 V\n0.000000 0.000000 0.000000 Fe\n0.749610 0.749610 0.250391 O\n0.250390 0.749610 0.250390 O\n0.749610 0.250391 0.250391 O\n0.250390 0.250391 0.749610 O\n0.749610 0.250391 0.749610 O\n0.250390 0.749610 0.749610 O\n","nsites":10,"nelements":5,"elements":["Ca","La","V","Fe","O"],"chemical_system":"Ca-Fe-La-O-V","density":5.787295654166322,"density_atomic":0.09129119744405445,"volume":109.53958629065252,"volume_molar":6.596628074344757,"formula_full":"Ca1 La1 V1 Fe1 O6","formula_reduced":"CaLaVFeO6","formula_anonymous":"ABCDE6","energy_above_hull":2.562332612,"spacegroup":216},{"id":"jvasp-97868","created_at":"2022-09-04T14:36:07.842970Z","updated_at":"2022-09-04T14:36:07.842997Z","structure_string":"Ca4 As6 Pb6 Cl2 O24\n1.0\n10.290352 -0.000000 0.000000\n-5.145176 8.911707 -0.000000\n-0.000000 -0.000000 7.126711\nCa As Pb Cl O\n4 6 6 2 24\ndirect\n0.666667 0.333333 0.505421 Ca\n0.333333 0.666667 0.494579 Ca\n0.666667 0.333333 0.994579 Ca\n0.333333 0.666667 0.005421 Ca\n0.608570 0.030703 0.250000 As\n0.030703 0.422133 0.750000 As\n0.577866 0.608570 0.750000 As\n0.391430 0.969297 0.750000 As\n0.969296 0.577867 0.250000 As\n0.422133 0.391430 0.250000 As\n0.259130 0.021701 0.250000 Pb\n0.740870 0.978299 0.750000 Pb\n0.978298 0.237429 0.250000 Pb\n0.021701 0.762572 0.750000 Pb\n0.237429 0.259130 0.750000 Pb\n0.762571 0.740870 0.250000 Pb\n0.000000 0.000000 0.500000 Cl\n0.000000 0.000000 0.000000 Cl\n0.844088 0.365992 0.750000 O\n0.908314 0.634162 0.442790 O\n0.616992 0.470829 0.250000 O\n0.365838 0.274152 0.057210 O\n0.478096 0.844089 0.250000 O\n0.853836 0.383008 0.250000 O\n0.091686 0.365838 0.942790 O\n0.274152 0.908315 0.557210 O\n0.634162 0.725848 0.557210 O\n0.155911 0.634008 0.250000 O\n0.634162 0.725848 0.942790 O\n0.725848 0.091686 0.057210 O\n0.383007 0.529172 0.750000 O\n0.146164 0.616993 0.750000 O\n0.634008 0.478097 0.750000 O\n0.274152 0.908315 0.942790 O\n0.091686 0.365838 0.557210 O\n0.470828 0.853836 0.750000 O\n0.908314 0.634162 0.057210 O\n0.725848 0.091686 0.442790 O\n0.529171 0.146164 0.250000 O\n0.365838 0.274152 0.442790 O\n0.365992 0.521904 0.250000 O\n0.521903 0.155912 0.750000 O\n","nsites":42,"nelements":5,"elements":["Ca","As","Pb","Cl","O"],"chemical_system":"As-Ca-Cl-O-Pb","density":5.863974244512392,"density_atomic":0.0642641862285365,"volume":653.552195473844,"volume_molar":9.370912655120295,"formula_full":"Ca4 As6 Pb6 Cl2 O24","formula_reduced":"Ca2As3Pb3ClO12","formula_anonymous":"AB2C3D3E12","energy_above_hull":2.0751006960714284,"spacegroup":176},{"id":"jvasp-62989","created_at":"2022-09-04T14:35:55.933629Z","updated_at":"2022-09-04T14:35:55.933646Z","structure_string":"K1 Be2 B1 O3 F2\n1.0\n2.229664 3.861815 -0.017778\n-2.229664 3.861815 -0.017778\n0.000000 2.603120 6.097386\nK Be B O F\n1 2 1 3 2\ndirect\n0.007122 0.992877 -0.000000 K\n0.205238 0.190766 0.405990 Be\n0.809233 0.794761 0.594010 Be\n0.507258 0.492740 0.500000 B\n0.198386 0.801612 0.500000 O\n0.507260 0.183880 0.499975 O\n0.816119 0.492739 0.500025 O\n0.725154 0.710773 0.846086 F\n0.289226 0.274845 0.153914 F\n","nsites":9,"nelements":5,"elements":["K","Be","B","O","F"],"chemical_system":"B-Be-F-K-O","density":2.429468859325756,"density_atomic":0.0855431484527208,"volume":105.21006255660846,"volume_molar":7.039886734270018,"formula_full":"K1 Be2 B1 O3 F2","formula_reduced":"KBe2BO3F2","formula_anonymous":"ABC2D2E3","energy_above_hull":1.524079316481482,"spacegroup":155},{"id":"jvasp-86693","created_at":"2022-09-04T14:36:07.582389Z","updated_at":"2022-09-04T14:36:07.582402Z","structure_string":"Rb1 La1 Si1 C4 N8\n1.0\n5.935581 -0.000164 3.361161\n2.967387 5.978206 1.681003\n0.022136 0.000483 6.882291\nRb La Si C N\n1 1 1 4 8\ndirect\n-0.000037 -0.000000 0.000002 Rb\n0.750004 0.500000 0.500000 La\n0.250000 0.499997 0.499994 Si\n0.558524 0.082547 0.543923 C\n0.897544 0.543969 0.917443 C\n0.358948 0.456035 0.082553 C\n0.184995 0.917453 0.456076 C\n0.516968 0.389986 0.898177 N\n0.994589 0.469720 0.722473 N\n0.282965 0.722447 0.530255 N\n0.535662 0.277559 0.469745 N\n0.092988 0.101872 0.390102 N\n0.584958 0.898126 0.609899 N\n0.186775 0.530280 0.277521 N\n0.805121 0.610016 0.101826 N\n","nsites":15,"nelements":5,"elements":["Rb","La","Si","C","N"],"chemical_system":"C-La-N-Rb-Si","density":2.810281057426221,"density_atomic":0.06153325423905445,"volume":243.77062753296855,"volume_molar":9.786806881047122,"formula_full":"Rb1 La1 Si1 C4 N8","formula_reduced":"RbLaSi(CN2)4","formula_anonymous":"ABCD4E8","energy_above_hull":5.713009306666668,"spacegroup":82},{"id":"jvasp-28568","created_at":"2022-09-04T14:36:07.971449Z","updated_at":"2022-09-04T14:36:07.971476Z","structure_string":"Te2 Mo2 W1 Se2 S2\n1.0\n3.360176 0.000000 0.000000\n-1.680088 2.906744 0.139395\n0.000000 0.994071 20.100819\nTe Mo W Se S\n2 2 1 2 2\ndirect\n0.586656 0.173309 0.588367 Te\n0.522620 0.045239 0.778807 Te\n0.441435 0.882870 0.020884 Mo\n0.670576 0.341153 0.336476 Mo\n0.221299 0.442599 0.683633 W\n0.309345 0.618691 0.419474 Se\n0.365142 0.730285 0.253468 Se\n0.800179 0.600358 0.945293 S\n0.749346 0.498691 0.096440 S\n","nsites":9,"nelements":5,"elements":["Te","Mo","W","Se","S"],"chemical_system":"Mo-S-Se-Te-W","density":7.231551665666075,"density_atomic":0.04595059597994418,"volume":195.86253035604116,"volume_molar":13.105685860153919,"formula_full":"Te2 Mo2 W1 Se2 S2","formula_reduced":"Te2Mo2W(SeS)2","formula_anonymous":"AB2C2D2E2","energy_above_hull":3.6665960074074073,"spacegroup":160}]}