{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=4551","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=4549","results":[{"id":"jvasp-119215","created_at":"2022-09-04T14:38:36.566015Z","updated_at":"2022-09-04T14:38:36.566039Z","structure_string":"Ba2 Pr2 Co4 O11\n1.0\n3.839597 -0.000000 0.000000\n0.000000 7.610784 0.000000\n-0.000000 -0.000000 7.977816\nBa Pr Co O\n2 2 4 11\ndirect\n0.500000 0.000000 0.247953 Ba\n0.500000 0.000000 0.752048 Ba\n0.500000 0.500000 0.267702 Pr\n0.500000 0.500000 0.732298 Pr\n-0.000000 0.748281 -0.000000 Co\n-0.000000 0.251718 -0.000000 Co\n-0.000000 0.752467 0.500000 Co\n-0.000000 0.247532 0.500000 Co\n0.500000 0.265792 0.500000 O\n0.500000 0.734207 0.500000 O\n0.000000 0.000000 0.000000 O\n-0.000000 0.286536 0.235495 O\n0.500000 0.302548 -0.000000 O\n-0.000000 0.713463 0.764505 O\n-0.000000 0.713463 0.235495 O\n0.000000 0.000000 0.500000 O\n0.500000 0.697451 -0.000000 O\n-0.000000 0.286536 0.764505 O\n-0.000000 0.500000 0.500000 O\n","nsites":19,"nelements":4,"elements":["Ba","Pr","Co","O"],"chemical_system":"Ba-Co-O-Pr","density":6.896251518047812,"density_atomic":0.08149942510324376,"volume":233.13047884608673,"volume_molar":7.389181889775457,"formula_full":"Ba2 Pr2 Co4 O11","formula_reduced":"Ba2Pr2Co4O11","formula_anonymous":"A2B2C4D11","energy_above_hull":2.7078507231578945,"spacegroup":47},{"id":"jvasp-111753","created_at":"2022-09-04T14:38:38.555422Z","updated_at":"2022-09-04T14:38:38.555448Z","structure_string":"Ba2 Y2 Co4 O11\n1.0\n3.779318 0.000000 0.000000\n-0.000000 7.485717 0.000000\n0.000000 0.000000 7.918754\nBa Y Co O\n2 2 4 11\ndirect\n0.500000 0.000000 0.254080 Ba\n0.500000 0.000000 0.745919 Ba\n0.500000 0.500000 0.228194 Y\n0.500000 0.500000 0.771805 Y\n0.000000 0.250172 0.000000 Co\n0.000000 0.749829 0.000000 Co\n0.000000 0.261115 0.500000 Co\n0.000000 0.738886 0.500000 Co\n0.000000 0.298586 0.736219 O\n0.000000 0.701414 0.263781 O\n0.000000 0.701414 0.736219 O\n0.000000 0.298586 0.263781 O\n0.500000 0.312779 0.500000 O\n0.500000 0.275121 0.000000 O\n0.500000 0.687222 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.500000 0.724879 0.000000 O\n0.000000 0.500000 0.000000 O\n","nsites":19,"nelements":4,"elements":["Ba","Y","Co","O"],"chemical_system":"Ba-Co-O-Y","density":6.405537629711865,"density_atomic":0.08481055572932646,"volume":224.02871714033625,"volume_molar":7.10069720474384,"formula_full":"Ba2 Y2 Co4 O11","formula_reduced":"Ba2Y2Co4O11","formula_anonymous":"A2B2C4D11","energy_above_hull":2.869099207368421,"spacegroup":47},{"id":"jvasp-98530","created_at":"2022-09-04T14:35:45.025281Z","updated_at":"2022-09-04T14:35:45.025307Z","structure_string":"Sr2 Sc2 B4 O11\n1.0\n5.114013 0.007506 0.055097\n1.594798 5.973182 1.327391\n-0.011479 0.034242 7.290310\nSr Sc B O\n2 2 4 11\ndirect\n0.774906 0.805763 0.836242 Sr\n0.225093 0.194236 0.163758 Sr\n0.813594 0.718208 0.352222 Sc\n0.186406 0.281792 0.647779 Sc\n0.277944 0.779573 0.608064 B\n0.647968 0.343096 0.898870 B\n0.352032 0.656904 0.101130 B\n0.722056 0.220427 0.391936 B\n0.910690 0.341899 0.867206 O\n0.175485 0.946857 0.706095 O\n0.889806 0.355758 0.420497 O\n0.489705 0.796203 0.151186 O\n0.089310 0.658100 0.132794 O\n0.538393 0.743540 0.555553 O\n0.461607 0.256460 0.444447 O\n0.824515 0.053143 0.293906 O\n0.110193 0.644242 0.579504 O\n0.500000 0.500000 0.000000 O\n0.510294 0.203797 0.848814 O\n","nsites":19,"nelements":4,"elements":["Sr","Sc","B","O"],"chemical_system":"B-O-Sc-Sr","density":3.6169367201544698,"density_atomic":0.08543797396076973,"volume":222.38355053602007,"volume_molar":7.048552863349927,"formula_full":"Sr2 Sc2 B4 O11","formula_reduced":"Sr2Sc2B4O11","formula_anonymous":"A2B2C4D11","energy_above_hull":3.052621681754386,"spacegroup":2},{"id":"jvasp-12616","created_at":"2022-09-04T14:37:07.664977Z","updated_at":"2022-09-04T14:37:07.664994Z","structure_string":"Ba2 Nd2 Co4 O11\n1.0\n3.830185 0.000000 0.000000\n0.000000 7.585376 0.000000\n0.000000 0.000000 7.984018\nBa Nd Co O\n2 2 4 11\ndirect\n0.500001 0.000000 0.752719 Ba\n0.500001 0.000000 0.247282 Ba\n0.500001 0.500000 0.268450 Nd\n0.500001 0.500000 0.731550 Nd\n0.000000 0.254162 0.000000 Co\n0.000000 0.745839 0.000000 Co\n0.000000 0.751921 0.500000 Co\n0.000000 0.248079 0.500000 Co\n0.000000 0.000000 0.000000 O\n0.500001 0.695221 0.000000 O\n0.500001 0.304780 0.000000 O\n0.500001 0.732916 0.500000 O\n0.000000 0.711579 0.235271 O\n0.000000 0.711579 0.764730 O\n0.000000 0.288421 0.235271 O\n0.000000 0.500000 0.500000 O\n0.000000 0.288421 0.764730 O\n0.500001 0.267085 0.500000 O\n0.000000 0.000000 0.500000 O\n","nsites":19,"nelements":4,"elements":["Ba","Nd","Co","O"],"chemical_system":"Ba-Co-Nd-O","density":6.978704974278444,"density_atomic":0.08190967998749013,"volume":231.9628156635678,"volume_molar":7.352172247431253,"formula_full":"Ba2 Nd2 Co4 O11","formula_reduced":"Ba2Nd2Co4O11","formula_anonymous":"A2B2C4D11","energy_above_hull":2.7011519494736844,"spacegroup":47},{"id":"jvasp-86544","created_at":"2022-09-04T14:36:16.443940Z","updated_at":"2022-09-04T14:36:16.443960Z","structure_string":"Na2 Si4 Cu2 O11\n1.0\n5.183654 -0.010741 -0.685371\n-1.266495 6.179721 -0.752270\n-0.024380 -0.055703 8.354892\nNa Si Cu O\n2 4 2 11\ndirect\n0.872841 0.352955 0.193250 Na\n0.127158 0.647046 0.806749 Na\n0.408477 0.654653 0.187043 Si\n0.009663 0.134143 0.679848 Si\n0.591522 0.345348 0.812957 Si\n0.299727 0.110590 0.070608 Si\n0.990335 0.865857 0.320152 Cu\n0.700272 0.889411 0.929391 Cu\n0.768562 0.269311 0.672556 O\n0.726989 0.588697 0.896945 O\n0.231437 0.730689 0.327443 O\n0.001178 0.024870 0.183786 O\n0.715511 0.674847 0.279836 O\n0.402324 0.824879 0.053044 O\n0.597674 0.175121 0.946956 O\n0.000000 0.000000 0.500000 O\n0.284487 0.325153 0.720163 O\n-0.001179 0.975130 0.816214 O\n0.273009 0.411303 0.103055 O\n","nsites":19,"nelements":4,"elements":["Na","Si","Cu","O"],"chemical_system":"Cu-Na-O-Si","density":2.867949183856907,"density_atomic":0.0711200141493506,"volume":267.15405258638424,"volume_molar":8.467575311998147,"formula_full":"Na2 Si4 Cu2 O11","formula_reduced":"Na2Cu2Si4O11","formula_anonymous":"A2B2C4D11","energy_above_hull":2.3215416736842105,"spacegroup":1},{"id":"jvasp-85945","created_at":"2022-09-04T14:36:17.683225Z","updated_at":"2022-09-04T14:36:17.683240Z","structure_string":"Na2 Si4 Cu2 O11\n1.0\n5.183364 -0.010439 -0.685863\n-1.265918 6.180063 -0.751710\n-0.025301 -0.055258 8.353931\nNa Si Cu O\n2 4 2 11\ndirect\n0.872860 0.352861 0.193295 Na\n0.127139 0.647138 0.806705 Na\n0.408590 0.654635 0.187102 Si\n0.009537 0.134169 0.679824 Si\n0.591409 0.345364 0.812898 Si\n0.299759 0.110587 0.070616 Si\n0.990462 0.865829 0.320176 Cu\n0.700240 0.889412 0.929384 Cu\n0.768318 0.269246 0.672445 O\n0.726921 0.588699 0.896817 O\n0.231681 0.730754 0.327554 O\n0.001230 0.024801 0.183758 O\n0.715700 0.674787 0.279846 O\n0.402365 0.824840 0.053049 O\n0.597634 0.175158 0.946952 O\n0.000000 0.000000 0.500000 O\n0.284299 0.325213 0.720153 O\n-0.001230 0.975197 0.816242 O\n0.273078 0.411300 0.103184 O\n","nsites":19,"nelements":4,"elements":["Na","Si","Cu","O"],"chemical_system":"Cu-Na-O-Si","density":2.868264742145006,"density_atomic":0.0711278394309284,"volume":267.124661061169,"volume_molar":8.466643733566581,"formula_full":"Na2 Si4 Cu2 O11","formula_reduced":"Na2Cu2Si4O11","formula_anonymous":"A2B2C4D11","energy_above_hull":2.3215416736842105,"spacegroup":1},{"id":"jvasp-46848","created_at":"2022-09-04T14:38:04.905038Z","updated_at":"2022-09-04T14:38:04.905061Z","structure_string":"Li2 Fe2 C3 O9\n1.0\n4.922533 0.000000 0.000000\n0.000000 4.871080 3.445980\n0.000000 -4.871080 3.445980\nLi Fe C O\n2 2 3 9\ndirect\n0.000000 0.910176 0.910176 Li\n0.500000 0.643756 0.643756 Li\n0.500000 0.258062 0.814019 Fe\n0.500000 0.814019 0.258062 Fe\n0.000000 0.444718 0.855410 C\n0.000000 0.855410 0.444718 C\n0.500000 0.242871 0.242871 C\n0.000000 0.242218 0.886416 O\n0.000000 0.886416 0.242218 O\n0.228375 0.546493 0.839112 O\n0.228375 0.839112 0.546493 O\n0.500000 0.212122 0.444925 O\n0.500000 0.050587 0.050587 O\n0.500000 0.444925 0.212122 O\n0.771625 0.546493 0.839112 O\n0.771625 0.839112 0.546493 O\n","nsites":16,"nelements":4,"elements":["Li","Fe","C","O"],"chemical_system":"C-Fe-Li-O","density":3.0707464128378152,"density_atomic":0.09681961156387117,"volume":165.25577557646903,"volume_molar":6.219959637027916,"formula_full":"Li2 Fe2 C3 O9","formula_reduced":"Li2Fe2(CO3)3","formula_anonymous":"A2B2C3D9","energy_above_hull":3.65783203125,"spacegroup":38},{"id":"jvasp-25643","created_at":"2022-09-04T14:38:16.528382Z","updated_at":"2022-09-04T14:38:16.528418Z","structure_string":"K8 Be8 Si12 O36\n1.0\n0.000000 10.262141 0.030137\n6.953847 0.000000 0.000000\n0.000000 -3.539018 -11.686616\nK Be Si O\n8 8 12 36\ndirect\n0.539970 0.372238 0.856770 K\n0.062051 0.109567 0.646782 K\n0.460029 0.872238 0.643230 K\n0.460030 0.627762 0.143230 K\n0.539970 0.127762 0.356770 K\n0.062051 0.390433 0.146782 K\n0.937948 0.890433 0.353218 K\n0.937948 0.609567 0.853218 K\n0.568470 0.908585 0.956321 Be\n0.431530 0.408585 0.543679 Be\n0.062341 0.426949 0.441626 Be\n0.568470 0.591416 0.456321 Be\n0.937659 0.573051 0.558374 Be\n0.937659 0.926949 0.058374 Be\n0.062341 0.073051 0.941626 Be\n0.431530 0.091416 0.043679 Be\n0.243748 0.531621 0.681798 Si\n0.756251 0.468379 0.318202 Si\n0.255300 0.679011 0.372381 Si\n0.756251 0.031621 0.818203 Si\n0.255300 0.820990 0.872381 Si\n0.238244 0.386407 0.920686 Si\n0.243749 0.968379 0.181797 Si\n0.761756 0.613594 0.079314 Si\n0.238244 0.113594 0.420686 Si\n0.761756 0.886407 0.579314 Si\n0.744700 0.320990 0.627619 Si\n0.744700 0.179011 0.127619 Si\n0.100449 0.201560 0.439922 O\n0.239141 0.623603 0.944865 O\n0.600756 0.429509 0.566328 O\n0.899551 0.798440 0.560078 O\n0.877376 0.048056 0.142948 O\n0.399243 0.929509 0.933672 O\n0.600756 0.070492 0.066328 O\n0.380202 0.493997 0.645727 O\n0.257947 0.752264 0.243081 O\n0.760859 0.376398 0.055136 O\n0.102995 0.518949 0.576969 O\n0.742053 0.247736 0.756919 O\n0.897004 0.018949 0.923031 O\n0.100449 0.298440 0.939922 O\n0.122624 0.951944 0.857052 O\n0.399243 0.570492 0.433672 O\n0.760859 0.123603 0.555136 O\n0.379949 0.303342 0.002910 O\n0.380202 0.006003 0.145727 O\n0.620050 0.803342 0.497090 O\n0.379949 0.196658 0.502910 O\n0.763028 0.873769 0.716923 O\n0.899551 0.701560 0.060078 O\n0.877375 0.451944 0.642948 O\n0.236971 0.373769 0.783077 O\n0.620050 0.696659 0.997090 O\n0.236971 0.126231 0.283077 O\n0.102995 0.981052 0.076969 O\n0.122624 0.548056 0.357052 O\n0.239141 0.876398 0.444864 O\n0.257947 0.747737 0.743081 O\n0.619798 0.506003 0.354273 O\n0.897004 0.481052 0.423031 O\n0.742053 0.252264 0.256919 O\n0.619798 0.993997 0.854273 O\n0.763028 0.626231 0.216923 O\n","nsites":64,"nelements":4,"elements":["K","Be","Si","O"],"chemical_system":"Be-K-O-Si","density":2.586550215800461,"density_atomic":0.07680942042636586,"volume":833.2311277020278,"volume_molar":7.840367400992418,"formula_full":"K8 Be8 Si12 O36","formula_reduced":"K2Be2(SiO3)3","formula_anonymous":"A2B2C3D9","energy_above_hull":2.38836659375,"spacegroup":14},{"id":"jvasp-25772","created_at":"2022-09-04T14:37:49.721201Z","updated_at":"2022-09-04T14:37:49.721222Z","structure_string":"Na2 Ca2 C3 O9\n1.0\n4.981905 0.000000 0.000000\n0.000000 5.970168 -2.735072\n0.000000 -0.023104 6.566808\nNa Ca C O\n2 2 3 9\ndirect\n0.000000 0.925701 0.925701 Na\n0.500000 0.615482 0.615482 Na\n0.500000 0.212095 0.780186 Ca\n0.500000 0.780186 0.212094 Ca\n0.000000 0.876630 0.464228 C\n0.000000 0.464229 0.876630 C\n0.500000 0.224895 0.224895 C\n0.500000 0.414422 0.210230 O\n0.500000 0.210230 0.414422 O\n0.000000 0.885012 0.271780 O\n0.500000 0.038409 0.038409 O\n0.000000 0.271780 0.885012 O\n0.226495 0.869460 0.559061 O\n0.773506 0.559061 0.869460 O\n0.773506 0.869460 0.559061 O\n0.226495 0.559061 0.869460 O\n","nsites":16,"nelements":4,"elements":["Na","Ca","C","O"],"chemical_system":"C-Ca-Na-O","density":2.6071437433520326,"density_atomic":0.08205106773867868,"volume":195.00050932862678,"volume_molar":7.339503221554272,"formula_full":"Na2 Ca2 C3 O9","formula_reduced":"Na2Ca2(CO3)3","formula_anonymous":"A2B2C3D9","energy_above_hull":2.78693689625,"spacegroup":38},{"id":"jvasp-48274","created_at":"2022-09-04T14:35:41.095552Z","updated_at":"2022-09-04T14:35:41.095570Z","structure_string":"Li2 Mn2 C3 O9\n1.0\n4.858622 0.000000 0.000000\n0.000000 5.016718 3.407862\n0.000000 -5.016718 3.407862\nLi Mn C O\n2 2 3 9\ndirect\n0.000000 0.862601 0.862601 Li\n0.500000 0.589296 0.589296 Li\n0.500000 0.182849 0.750915 Mn\n0.500000 0.750915 0.182849 Mn\n0.000000 0.420049 0.827842 C\n0.000000 0.827842 0.420049 C\n0.500000 0.201150 0.201150 C\n0.000000 0.219057 0.853799 O\n0.000000 0.853799 0.219057 O\n0.231418 0.520815 0.813272 O\n0.231418 0.813272 0.520815 O\n0.500000 0.178976 0.402425 O\n0.500000 0.007862 0.007862 O\n0.500000 0.402425 0.178976 O\n0.768581 0.520815 0.813272 O\n0.768581 0.813272 0.520815 O\n","nsites":16,"nelements":4,"elements":["Li","Mn","C","O"],"chemical_system":"C-Li-Mn-O","density":3.0364793090345668,"density_atomic":0.09631084331853737,"volume":166.12874987587622,"volume_molar":6.252816975220995,"formula_full":"Li2 Mn2 C3 O9","formula_reduced":"Li2Mn2(CO3)3","formula_anonymous":"A2B2C3D9","energy_above_hull":3.7731428739224135,"spacegroup":38},{"id":"jvasp-98020","created_at":"2022-09-04T14:35:42.140105Z","updated_at":"2022-09-04T14:35:42.140123Z","structure_string":"Cu6 H4 C4 O16\n1.0\n4.930183 0.000000 -0.135691\n0.000000 5.872879 0.000000\n0.163218 0.000000 10.505212\nCu H C O\n6 4 4 16\ndirect\n0.000000 0.000000 0.000000 Cu\n0.752005 0.001940 0.415292 Cu\n0.247995 0.501940 0.084708 Cu\n0.247995 -0.001940 0.584708 Cu\n0.752005 0.498060 0.915292 Cu\n0.000000 0.500000 0.500000 Cu\n0.198799 0.700621 0.871233 H\n0.801201 0.200621 0.628767 H\n0.801201 0.299380 0.128767 H\n0.198798 0.799380 0.371233 H\n0.666565 0.806048 0.184251 C\n0.333435 0.193952 0.815749 C\n0.666565 0.693952 0.684251 C\n0.333434 0.306048 0.315749 C\n0.560975 0.797077 0.296018 O\n0.439025 0.297077 0.203982 O\n0.454283 0.280617 0.914476 O\n0.545717 0.780617 0.585524 O\n0.545716 0.719383 0.085524 O\n0.454283 0.219383 0.414476 O\n0.899732 0.593884 0.671056 O\n0.899732 0.906117 0.171056 O\n0.076953 0.689125 0.945319 O\n0.923047 0.189125 0.554681 O\n0.923047 0.310875 0.054681 O\n0.076953 0.810875 0.445319 O\n0.439025 0.202923 0.703982 O\n0.560975 0.702923 0.796018 O\n0.100268 0.093883 0.828944 O\n0.100267 0.406117 0.328944 O\n","nsites":30,"nelements":4,"elements":["Cu","H","C","O"],"chemical_system":"C-Cu-H-O","density":3.7616518464673985,"density_atomic":0.0985863233081451,"volume":304.3018442449758,"volume_molar":6.1084951319028,"formula_full":"Cu6 H4 C4 O16","formula_reduced":"Cu3H2(CO4)2","formula_anonymous":"A2B2C3D8","energy_above_hull":2.848847956666667,"spacegroup":14},{"id":"jvasp-46779","created_at":"2022-09-04T14:38:08.937650Z","updated_at":"2022-09-04T14:38:08.937682Z","structure_string":"Li3 Co2 Si2 O8\n1.0\n5.194369 -0.014040 0.001589\n-0.151051 5.193202 0.009547\n-0.080167 -0.092207 6.360960\nLi Co Si O\n3 2 2 8\ndirect\n0.826514 0.173181 0.494747 Li\n0.316020 0.316001 0.736714 Li\n0.173097 0.826422 0.494739 Li\n0.813096 0.191821 0.004923 Co\n0.191728 0.813018 0.004984 Co\n0.685997 0.686085 0.740606 Si\n0.329316 0.329241 0.259473 Si\n0.820697 0.820849 0.959436 O\n0.715693 0.366698 0.757616 O\n0.813297 0.813484 0.540623 O\n0.638981 0.274724 0.245390 O\n0.366512 0.715495 0.757635 O\n0.204638 0.204478 0.467177 O\n0.274494 0.638783 0.245403 O\n0.196506 0.196343 0.033460 O\n","nsites":15,"nelements":4,"elements":["Li","Co","Si","O"],"chemical_system":"Co-Li-O-Si","density":3.124550458730618,"density_atomic":0.08742213204687393,"volume":171.5812649359468,"volume_molar":6.8885768614874925,"formula_full":"Li3 Co2 Si2 O8","formula_reduced":"Li3Co2(SiO4)2","formula_anonymous":"A2B2C3D8","energy_above_hull":2.6922924666666668,"spacegroup":8}]}