{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=4344","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=4342","results":[{"id":"jvasp-97339","created_at":"2022-09-04T14:35:52.850225Z","updated_at":"2022-09-04T14:35:52.850249Z","structure_string":"Dy8 Si4 Se4 O16\n1.0\n6.030173 -0.000000 0.000000\n0.000000 6.947244 0.000000\n0.000000 0.000000 10.807581\nDy Si Se O\n8 4 4 16\ndirect\n0.131350 0.471976 0.250000 Dy\n0.868650 0.971975 0.250000 Dy\n0.868650 0.528024 0.750000 Dy\n0.392631 0.750000 0.000000 Dy\n0.392631 0.750000 0.500000 Dy\n0.607368 0.250000 0.000000 Dy\n0.607368 0.250000 0.500000 Dy\n0.131350 0.028024 0.750000 Dy\n0.111889 0.250000 0.000000 Si\n0.888111 0.750000 0.000000 Si\n0.888111 0.750000 0.500000 Si\n0.111889 0.250000 0.500000 Si\n0.421970 0.122973 0.250000 Se\n0.421970 0.377026 0.750000 Se\n0.578030 0.622973 0.250000 Se\n0.578030 0.877026 0.750000 Se\n0.275796 0.431767 0.032142 O\n0.944609 0.241084 0.120914 O\n0.944609 0.258916 0.879086 O\n0.944609 0.258916 0.620914 O\n0.944609 0.241084 0.379086 O\n0.055390 0.741083 0.379086 O\n0.055390 0.741083 0.120914 O\n0.275796 0.431767 0.467858 O\n0.275796 0.068233 0.532142 O\n0.724204 0.931766 0.032142 O\n0.724204 0.568233 0.967858 O\n0.724204 0.568233 0.532142 O\n0.724204 0.931766 0.467858 O\n0.275796 0.068233 0.967858 O\n0.055390 0.758916 0.620914 O\n0.055390 0.758916 0.879086 O\n","nsites":32,"nelements":4,"elements":["Dy","Si","Se","O"],"chemical_system":"Dy-O-Se-Si","density":7.277088865279108,"density_atomic":0.07067717056825745,"volume":452.76288995037737,"volume_molar":8.52063079432988,"formula_full":"Dy8 Si4 Se4 O16","formula_reduced":"Dy2SiSeO4","formula_anonymous":"ABC2D4","energy_above_hull":2.071242370833333,"spacegroup":57},{"id":"jvasp-48440","created_at":"2022-09-04T14:36:07.172154Z","updated_at":"2022-09-04T14:36:07.172174Z","structure_string":"Li4 Ti2 Ni2 O8\n1.0\n-2.935000 -2.896777 -4.268311\n-2.929845 2.876984 4.188150\n-2.850552 2.967410 -4.179707\nLi Ti Ni O\n4 2 2 8\ndirect\n0.499997 0.499999 0.000000 Li\n0.999997 0.499995 0.499999 Li\n0.999992 0.499997 0.999998 Li\n0.499993 0.999993 0.000002 Li\n0.500008 0.500010 0.499991 Ti\n0.000007 0.000008 0.999990 Ti\n0.499998 0.999998 0.500001 Ni\n-0.000004 -0.000003 0.500002 Ni\n0.507203 0.745956 0.731565 O\n0.979260 0.746436 0.246468 O\n0.520739 0.746467 0.246433 O\n0.007207 0.768435 0.754042 O\n0.992785 0.231557 0.245959 O\n0.479258 0.253532 0.753566 O\n0.020737 0.253562 0.753530 O\n0.492789 0.254041 0.268441 O\n","nsites":16,"nelements":4,"elements":["Li","Ti","Ni","O"],"chemical_system":"Li-Ni-O-Ti","density":4.255794971302154,"density_atomic":0.1111645906386405,"volume":143.93072387601134,"volume_molar":5.417319242937706,"formula_full":"Li4 Ti2 Ni2 O8","formula_reduced":"Li2TiNiO4","formula_anonymous":"ABC2D4","energy_above_hull":2.0272218416666665,"spacegroup":74},{"id":"jvasp-48189","created_at":"2022-09-04T14:35:57.120589Z","updated_at":"2022-09-04T14:35:57.120610Z","structure_string":"Li2 Ti2 V2 O8\n1.0\n2.944516 -2.916476 4.162650\n-2.929076 2.931981 4.162650\n-2.929130 -2.941720 4.202485\nLi Ti V O\n2 2 2 8\ndirect\n0.500000 0.499999 0.500000 Li\n0.500000 0.499999 0.000000 Li\n-0.000000 -0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n-0.000001 0.500000 0.500000 V\n0.500000 -0.000000 0.000000 V\n0.240634 0.759354 0.473055 O\n0.757491 0.775471 0.983528 O\n0.240645 0.759365 0.026946 O\n0.224527 0.242508 0.516473 O\n0.775472 0.757491 0.483528 O\n0.759354 0.240633 0.973055 O\n0.242508 0.224527 0.016473 O\n0.759366 0.240645 0.526946 O\n","nsites":14,"nelements":4,"elements":["Li","Ti","V","O"],"chemical_system":"Li-O-Ti-V","density":3.925374072462174,"density_atomic":0.09748271779449305,"volume":143.61519987074962,"volume_molar":6.177649634979915,"formula_full":"Li2 Ti2 V2 O8","formula_reduced":"LiTiVO4","formula_anonymous":"ABCD4","energy_above_hull":2.6300209333333333,"spacegroup":74},{"id":"jvasp-97637","created_at":"2022-09-04T14:36:04.838967Z","updated_at":"2022-09-04T14:36:04.838993Z","structure_string":"B2 Te6 O6 F30\n1.0\n9.063353 0.000000 0.000000\n-4.531677 7.849094 -0.000000\n0.000000 0.000000 8.652403\nB Te O F\n2 6 6 30\ndirect\n0.666667 0.333333 0.750000 B\n0.333332 0.666667 0.250000 B\n0.649881 0.009926 0.250000 Te\n0.639954 0.649881 0.750000 Te\n0.009926 0.360045 0.750000 Te\n0.360045 0.350119 0.250000 Te\n0.350119 -0.009926 0.750000 Te\n-0.009927 0.639955 0.250000 Te\n0.430315 0.588473 0.250000 O\n0.841841 0.430315 0.750000 O\n0.569684 0.411526 0.750000 O\n0.411526 0.841841 0.250000 O\n0.588473 0.158158 0.750000 O\n0.158158 0.569684 0.250000 O\n0.802965 0.700019 0.904466 F\n0.299980 0.102946 0.904466 F\n0.197034 0.299980 0.404466 F\n0.102945 0.802965 0.095534 F\n0.102945 0.802965 0.404466 F\n0.878599 0.180904 0.250000 F\n0.474915 0.605909 0.900553 F\n0.180904 0.302305 0.750000 F\n0.700019 0.897054 0.404466 F\n0.869006 0.474916 0.099447 F\n0.869006 0.474916 0.400553 F\n0.802965 0.700019 0.595533 F\n0.394090 0.869006 0.599447 F\n0.299980 0.102946 0.595533 F\n0.819095 0.697695 0.250000 F\n0.525084 0.394090 0.400553 F\n0.302305 0.121401 0.250000 F\n0.121400 0.819096 0.750000 F\n0.474915 0.605909 0.599447 F\n0.605909 0.130994 0.400553 F\n0.525084 0.394090 0.099447 F\n0.130993 0.525084 0.599447 F\n0.700019 0.897054 0.095534 F\n0.394090 0.869006 0.900553 F\n0.605909 0.130994 0.099447 F\n0.130993 0.525084 0.900553 F\n0.897054 0.197035 0.595533 F\n0.197034 0.299980 0.095534 F\n0.697694 0.878599 0.750000 F\n0.897054 0.197035 0.904466 F\n","nsites":44,"nelements":4,"elements":["B","Te","O","F"],"chemical_system":"B-F-O-Te","density":3.9203108498391224,"density_atomic":0.07148378037460397,"volume":615.5242457718684,"volume_molar":8.42448556643415,"formula_full":"B2 Te6 O6 F30","formula_reduced":"BTe3(OF5)3","formula_anonymous":"AB3C3D15","energy_above_hull":0.6155736645833338,"spacegroup":176},{"id":"jvasp-42148","created_at":"2022-09-04T14:36:00.986483Z","updated_at":"2022-09-04T14:36:00.986512Z","structure_string":"Li2 V2 Ni2 O8\n1.0\n5.097519 0.008189 0.000000\n2.015791 4.682026 -0.000000\n0.000000 -0.000000 6.159695\nLi V Ni O\n2 2 2 8\ndirect\n0.335615 0.335615 0.750001 Li\n0.664385 0.664386 0.250000 Li\n0.352444 0.352445 0.250000 V\n0.647555 0.647556 0.750001 V\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.234983 0.234983 0.025379 O\n0.234983 0.234983 0.474621 O\n0.234307 0.731706 0.250000 O\n0.268296 0.765694 0.750001 O\n0.731705 0.234307 0.250000 O\n0.765693 0.268297 0.750001 O\n0.765017 0.765018 0.974621 O\n0.765017 0.765018 0.525380 O\n","nsites":14,"nelements":4,"elements":["Li","V","Ni","O"],"chemical_system":"Li-Ni-O-V","density":4.082081847062392,"density_atomic":0.09529643075945299,"volume":146.91001424112898,"volume_molar":6.319377034383453,"formula_full":"Li2 V2 Ni2 O8","formula_reduced":"LiVNiO4","formula_anonymous":"ABCD4","energy_above_hull":2.2741958,"spacegroup":63},{"id":"jvasp-98812","created_at":"2022-09-04T14:35:53.023437Z","updated_at":"2022-09-04T14:35:53.023457Z","structure_string":"Fe4 Se8 N4 Cl24\n1.0\n9.508113 0.124086 0.000000\n-3.790954 9.377265 0.000000\n0.000000 0.000000 11.402775\nFe Se N Cl\n4 8 4 24\ndirect\n0.328000 0.011930 0.806252 Fe\n0.328000 0.511929 0.693748 Fe\n0.672000 0.488071 0.306252 Fe\n0.672000 0.988070 0.193748 Fe\n0.719571 0.368562 0.677656 Se\n0.280429 0.631438 0.322344 Se\n0.779606 0.445211 0.959371 Se\n0.719571 0.868561 0.822344 Se\n0.779606 0.945210 0.540630 Se\n0.220394 0.054790 0.459370 Se\n0.280429 0.131438 0.177656 Se\n0.220394 0.554789 0.040630 Se\n0.719439 0.858162 0.671357 N\n0.719439 0.358163 0.828644 N\n0.280561 0.641837 0.171357 N\n0.280561 0.141838 0.328644 N\n0.879271 0.081675 0.874773 Cl\n0.367387 0.350119 0.583514 Cl\n0.508543 0.572283 0.830242 Cl\n0.667440 0.302380 0.407596 Cl\n0.508542 0.072284 0.669759 Cl\n0.491458 0.427716 0.169758 Cl\n0.111118 0.424661 0.786194 Cl\n0.491458 0.927716 0.330242 Cl\n0.931965 0.166343 0.582254 Cl\n0.120729 0.918325 0.125228 Cl\n0.931965 0.666343 0.917746 Cl\n0.632613 0.149881 0.083514 Cl\n0.120729 0.418325 0.374773 Cl\n0.068035 0.333657 0.082254 Cl\n0.888882 0.575339 0.213806 Cl\n0.367387 0.850119 0.916486 Cl\n0.888882 0.075340 0.286194 Cl\n0.068035 0.833657 0.417746 Cl\n0.879271 0.581675 0.625228 Cl\n0.632613 0.649881 0.416486 Cl\n0.332560 0.697620 0.592404 Cl\n0.332560 0.197621 0.907597 Cl\n0.667440 0.802379 0.092404 Cl\n0.111118 0.924660 0.713807 Cl\n","nsites":40,"nelements":4,"elements":["Fe","Se","N","Cl"],"chemical_system":"Cl-Fe-N-Se","density":2.8627173794190846,"density_atomic":0.0391375485531619,"volume":1022.0364197227785,"volume_molar":15.38711795354253,"formula_full":"Fe4 Se8 N4 Cl24","formula_reduced":"FeSe2NCl6","formula_anonymous":"ABC2D6","energy_above_hull":1.4030609888333332,"spacegroup":14},{"id":"jvasp-94843","created_at":"2022-09-04T14:36:04.861152Z","updated_at":"2022-09-04T14:36:04.861189Z","structure_string":"In1 Rh3 Pb1 S2\n1.0\n2.859246 1.650786 4.657230\n-2.859246 1.650786 4.657230\n-0.000000 -3.301572 4.657230\nIn Rh Pb S\n1 3 1 2\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 -0.000001 Rh\n0.500001 -0.000000 0.499999 Rh\n-0.000000 0.500001 0.499999 Rh\n0.500000 0.500000 0.499999 Pb\n0.782907 0.782907 0.782905 S\n0.217094 0.217094 0.217094 S\n","nsites":7,"nelements":4,"elements":["In","Rh","Pb","S"],"chemical_system":"In-Pb-Rh-S","density":8.748386988769752,"density_atomic":0.05307338700030195,"volume":131.89284490097032,"volume_molar":11.346818246149878,"formula_full":"In1 Rh3 Pb1 S2","formula_reduced":"InRh3PbS2","formula_anonymous":"ABC2D3","energy_above_hull":1.9273456842857144,"spacegroup":166},{"id":"jvasp-85469","created_at":"2022-09-04T14:36:01.116079Z","updated_at":"2022-09-04T14:36:01.116105Z","structure_string":"In1 Cu6 Cl1 O8\n1.0\n5.631977 -0.000086 3.251426\n1.877254 5.309842 3.251404\n-0.000144 -0.000126 6.503101\nIn Cu Cl O\n1 6 1 8\ndirect\n0.500000 0.500000 0.499999 In\n0.500000 0.000000 0.499999 Cu\n0.500001 0.500000 1.000000 Cu\n0.000000 0.499999 0.500000 Cu\n1.000000 0.499999 0.000002 Cu\n0.000001 0.999999 0.499999 Cu\n0.500001 -0.000002 0.000001 Cu\n0.999999 -0.000001 0.000001 Cl\n0.642804 0.071593 0.642804 O\n0.071588 0.642805 0.642807 O\n0.642807 0.642803 0.071589 O\n0.928413 0.357193 0.357193 O\n0.642796 0.642797 0.642799 O\n0.357205 0.357201 0.357202 O\n0.357196 0.928406 0.357197 O\n0.357195 0.357195 0.928411 O\n","nsites":16,"nelements":4,"elements":["In","Cu","Cl","O"],"chemical_system":"Cl-Cu-In-O","density":5.631413070629894,"density_atomic":0.08227079256067427,"volume":194.4797114747629,"volume_molar":7.319901234157559,"formula_full":"In1 Cu6 Cl1 O8","formula_reduced":"InCu6ClO8","formula_anonymous":"ABC6D8","energy_above_hull":1.2178859210937498,"spacegroup":225},{"id":"jvasp-88716","created_at":"2022-09-04T14:35:53.347516Z","updated_at":"2022-09-04T14:35:53.347535Z","structure_string":"Ba8 Y2 Cu6 O18\n1.0\n8.134969 0.000000 0.000000\n0.000000 8.134969 0.000000\n0.000000 -0.000000 8.134969\nBa Y Cu O\n8 2 6 18\ndirect\n0.750000 0.250000 0.250000 Ba\n0.250000 0.250000 0.750000 Ba\n0.250000 0.750000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.250000 0.750000 0.750000 Ba\n0.750000 0.750000 0.250000 Ba\n0.750000 0.250000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Y\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.772947 O\n0.000000 0.500000 0.750000 O\n0.000000 0.500000 0.250000 O\n0.500000 0.750000 0.000000 O\n0.500000 0.250000 0.000000 O\n0.772947 0.500000 0.500000 O\n0.227053 0.500000 0.500000 O\n0.500000 0.500000 0.227053 O\n0.000000 0.272947 0.000000 O\n0.500000 0.227053 0.500000 O\n0.727053 0.000000 0.000000 O\n0.272947 0.000000 0.000000 O\n0.000000 0.000000 0.727053 O\n0.000000 0.000000 0.272947 O\n0.000000 0.727053 0.000000 O\n0.250000 0.000000 0.500000 O\n0.500000 0.772947 0.500000 O\n0.750000 0.000000 0.500000 O\n","nsites":34,"nelements":4,"elements":["Ba","Y","Cu","O"],"chemical_system":"Ba-Cu-O-Y","density":6.001442986472785,"density_atomic":0.06315550470297156,"volume":538.3537058235282,"volume_molar":9.53541704452035,"formula_full":"Ba8 Y2 Cu6 O18","formula_reduced":"Ba4Y(CuO3)3","formula_anonymous":"AB3C4D9","energy_above_hull":1.5143530694117646,"spacegroup":223},{"id":"jvasp-42802","created_at":"2022-09-04T14:36:01.660938Z","updated_at":"2022-09-04T14:36:01.660966Z","structure_string":"Li2 Nb2 V2 O8\n1.0\n6.078838 0.000000 0.000000\n3.039419 5.217581 0.035598\n3.039419 1.772755 4.907317\nLi Nb V O\n2 2 2 8\ndirect\n0.122806 0.127194 0.127194 Li\n0.877195 0.872804 0.872807 Li\n0.000000 0.499999 0.500001 Nb\n0.500000 0.499999 0.500001 Nb\n0.500000 -0.000001 0.500000 V\n0.500000 0.500000 0.000000 V\n0.259570 0.260501 0.260502 O\n0.260248 0.249636 0.729868 O\n0.260248 0.729867 0.249638 O\n0.719428 0.260501 0.260502 O\n0.280573 0.739497 0.739499 O\n0.739753 0.750362 0.270133 O\n0.739753 0.270131 0.750363 O\n0.740431 0.739497 0.739499 O\n","nsites":14,"nelements":4,"elements":["Li","Nb","V","O"],"chemical_system":"Li-Nb-O-V","density":4.594347814689861,"density_atomic":0.0901707894976234,"volume":155.2609229441092,"volume_molar":6.6785938035495676,"formula_full":"Li2 Nb2 V2 O8","formula_reduced":"LiNbVO4","formula_anonymous":"ABCD4","energy_above_hull":2.934529657142858,"spacegroup":74},{"id":"jvasp-91926","created_at":"2022-09-04T14:36:00.712113Z","updated_at":"2022-09-04T14:36:00.712148Z","structure_string":"Tl2 Sn1 Hg1 Se4\n1.0\n-4.051719 4.051719 -3.515488\n4.051719 -4.051719 -3.515488\n-4.051719 -4.051719 3.515488\nTl Sn Hg Se\n2 1 1 4\ndirect\n0.500000 0.000000 0.500000 Tl\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.000000 Hg\n0.944541 0.944541 0.351700 Se\n0.592841 0.592841 0.648300 Se\n0.055460 0.407160 0.000000 Se\n0.407160 0.055460 0.000000 Se\n","nsites":8,"nelements":4,"elements":["Tl","Sn","Hg","Se"],"chemical_system":"Hg-Se-Sn-Tl","density":7.509075893463127,"density_atomic":0.03465498696805635,"volume":230.84700644597257,"volume_molar":17.377414585528424,"formula_full":"Tl2 Sn1 Hg1 Se4","formula_reduced":"Tl2SnHgSe4","formula_anonymous":"ABC2D4","energy_above_hull":0.3982581208333333,"spacegroup":121},{"id":"jvasp-98267","created_at":"2022-09-04T14:35:57.224855Z","updated_at":"2022-09-04T14:35:57.224872Z","structure_string":"Ti4 Fe2 P4 O20\n1.0\n6.404351 0.000000 -3.746255\n0.000000 7.385530 0.000000\n-0.062486 0.000000 7.470781\nTi Fe P O\n4 2 4 20\ndirect\n0.977573 0.273298 0.717060 Ti\n0.022426 0.726701 0.282940 Ti\n0.477574 0.226701 0.217060 Ti\n0.522425 0.773298 0.782940 Ti\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.748156 0.373425 -0.000840 P\n0.248156 0.126575 0.499159 P\n0.251844 0.626575 0.000841 P\n0.751844 0.873425 0.500841 P\n0.909324 -0.001564 0.680927 O\n0.845834 0.244763 0.908673 O\n0.920415 0.488551 0.175586 O\n0.590675 0.498436 0.819073 O\n0.272144 0.661831 0.496731 O\n0.579585 0.988551 0.324415 O\n0.864829 0.757373 0.418448 O\n0.227856 0.161831 0.003269 O\n0.345834 0.255237 0.408673 O\n0.409324 0.501564 0.180927 O\n0.079584 0.511449 0.824415 O\n0.772144 0.838169 0.996731 O\n0.654165 0.744763 0.591327 O\n0.090676 0.001564 0.319073 O\n0.135171 0.242627 0.581552 O\n0.727855 0.338169 0.503269 O\n0.635171 0.257373 0.081553 O\n0.364828 0.742627 0.918448 O\n0.154166 0.755237 0.091327 O\n0.420415 0.011449 0.675585 O\n","nsites":30,"nelements":4,"elements":["Ti","Fe","P","O"],"chemical_system":"Fe-O-P-Ti","density":3.527774408393434,"density_atomic":0.08531560931393177,"volume":351.63553587961184,"volume_molar":7.058662310950178,"formula_full":"Ti4 Fe2 P4 O20","formula_reduced":"Ti2Fe(PO5)2","formula_anonymous":"AB2C2D10","energy_above_hull":3.237647877777778,"spacegroup":14}]}