{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=4343","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=4341","results":[{"id":"jvasp-44707","created_at":"2022-09-04T14:38:03.996162Z","updated_at":"2022-09-04T14:38:03.996184Z","structure_string":"Li2 Ti1 Mn1 O4\n1.0\n0.000000 5.167818 -0.192315\n2.901113 0.000000 0.000000\n0.000000 -1.720155 -4.539019\nLi Ti Mn O\n2 1 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.499999 0.500000 Li\n0.500001 0.000000 0.500001 Ti\n0.500000 0.499999 0.000000 Mn\n0.733880 0.000000 0.236438 O\n0.738004 0.499999 0.742198 O\n0.266122 0.000000 0.763563 O\n0.261997 0.499999 0.257803 O\n","nsites":8,"nelements":4,"elements":["Li","Ti","Mn","O"],"chemical_system":"Li-Mn-O-Ti","density":4.347648454399595,"density_atomic":0.1159241881408962,"volume":69.0106191666977,"volume_molar":5.194895781957593,"formula_full":"Li2 Ti1 Mn1 O4","formula_reduced":"Li2TiMnO4","formula_anonymous":"ABC2D4","energy_above_hull":2.4753449468390807,"spacegroup":10},{"id":"jvasp-26398","created_at":"2022-09-04T14:37:53.735576Z","updated_at":"2022-09-04T14:37:53.735596Z","structure_string":"Yb1 Bi2 Br1 O4\n1.0\n3.906655 0.000000 0.000000\n0.000000 3.906655 0.000000\n0.000000 0.000000 9.238240\nYb Bi Br O\n1 2 1 4\ndirect\n0.000000 0.000000 0.000003 Yb\n0.499999 0.499999 0.264856 Bi\n0.499999 0.499999 0.735145 Bi\n0.000000 0.000000 0.500012 Br\n0.499999 0.000000 0.849550 O\n0.000000 0.499999 0.150464 O\n0.000000 0.499999 0.849550 O\n0.499999 0.000000 0.150464 O\n","nsites":8,"nelements":4,"elements":["Yb","Bi","Br","O"],"chemical_system":"Bi-Br-O-Yb","density":8.655245733158836,"density_atomic":0.056740169182176614,"volume":140.9935873528023,"volume_molar":10.61354036619914,"formula_full":"Yb1 Bi2 Br1 O4","formula_reduced":"YbBi2BrO4","formula_anonymous":"ABC2D4","energy_above_hull":1.313688425625,"spacegroup":123},{"id":"jvasp-48234","created_at":"2022-09-04T14:37:40.707352Z","updated_at":"2022-09-04T14:37:40.707378Z","structure_string":"Li4 Cr4 Si4 O16\n1.0\n4.737054 0.000000 0.000000\n0.000000 5.707988 0.000000\n0.000000 0.000000 10.074709\nLi Cr Si O\n4 4 4 16\ndirect\n-0.000012 0.256415 0.500080 Li\n0.500011 0.256415 0.000080 Li\n0.499988 0.756415 0.999920 Li\n0.000012 0.756415 0.499920 Li\n0.001876 0.006551 0.231961 Cr\n0.498123 0.006551 0.731961 Cr\n0.501876 0.506551 0.268039 Cr\n-0.001876 0.506551 0.768039 Cr\n0.941225 0.006549 0.907926 Si\n0.558774 0.006549 0.407926 Si\n0.441225 0.506549 0.592074 Si\n0.058774 0.506549 0.092074 Si\n0.777582 0.226776 0.828002 O\n0.782657 0.506536 0.598883 O\n0.717341 0.506536 0.098883 O\n0.722416 0.226776 0.328002 O\n0.722433 0.786312 0.328011 O\n0.690134 0.006554 0.558081 O\n0.309865 0.506554 0.441919 O\n0.222433 0.286312 0.171989 O\n0.277583 0.726776 0.671998 O\n0.282658 0.006536 0.901117 O\n0.217342 0.006536 0.401117 O\n0.222417 0.726776 0.171998 O\n0.777566 0.786312 0.828011 O\n0.190135 0.506554 0.941920 O\n0.277566 0.286312 0.671989 O\n0.809865 0.006554 0.058081 O\n","nsites":28,"nelements":4,"elements":["Li","Cr","Si","O"],"chemical_system":"Cr-Li-O-Si","density":3.6823090238662903,"density_atomic":0.10278603981350203,"volume":272.4105340647817,"volume_molar":5.858909216588894,"formula_full":"Li4 Cr4 Si4 O16","formula_reduced":"LiCrSiO4","formula_anonymous":"ABCD4","energy_above_hull":2.6165242857142865,"spacegroup":62},{"id":"jvasp-38047","created_at":"2022-09-04T14:38:00.806762Z","updated_at":"2022-09-04T14:38:00.806783Z","structure_string":"Na2 Li1 N1 F6\n1.0\n-0.000000 3.756901 3.756901\n3.756901 -0.000000 3.756901\n3.756901 3.756901 0.000000\nNa Li N F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 N\n0.241253 0.758747 0.758747 F\n0.241253 0.758747 0.241253 F\n0.758747 0.241253 0.758747 F\n0.758747 0.758747 0.241253 F\n0.241253 0.241253 0.758747 F\n0.758747 0.241253 0.241253 F\n","nsites":10,"nelements":4,"elements":["Na","Li","N","F"],"chemical_system":"F-Li-N-Na","density":2.832766681213412,"density_atomic":0.09429328188092585,"volume":106.0520940678262,"volume_molar":6.386606383692104,"formula_full":"Na2 Li1 N1 F6","formula_reduced":"Na2LiNF6","formula_anonymous":"ABC2D6","energy_above_hull":0.2541842944999999,"spacegroup":225},{"id":"jvasp-97858","created_at":"2022-09-04T14:37:41.215123Z","updated_at":"2022-09-04T14:37:41.215146Z","structure_string":"B4 N4 O8 F16\n1.0\n6.191948 0.000000 -1.479603\n0.000000 6.745389 0.000000\n0.200659 0.000000 9.055710\nB N O F\n4 4 8 16\ndirect\n0.258620 0.805326 0.502935 B\n0.258619 0.694675 0.002935 B\n0.741381 0.305326 0.997066 B\n0.741381 0.194675 0.497066 B\n0.239628 0.239883 0.242265 N\n0.239628 0.260117 0.742265 N\n0.760373 0.760117 0.757736 N\n0.760373 0.739883 0.257736 N\n0.658859 0.826108 0.834902 O\n0.341141 0.326107 0.665099 O\n0.137140 0.194448 0.818967 O\n0.137140 0.305552 0.318967 O\n0.862860 0.805552 0.181033 O\n0.341141 0.173893 0.165099 O\n0.658859 0.673893 0.334902 O\n0.862861 0.694449 0.681033 O\n0.555516 0.308556 0.439556 F\n0.083172 0.824929 0.954715 F\n0.444484 0.808556 0.060444 F\n0.785196 0.431423 0.882054 F\n0.916828 0.175071 0.045285 F\n0.444484 0.691444 0.560444 F\n0.290892 0.919223 0.378165 F\n0.214805 0.568577 0.117946 F\n0.083172 0.675071 0.454715 F\n0.709109 0.419223 0.121835 F\n0.555516 0.191444 0.939556 F\n0.214805 0.931423 0.617946 F\n0.785196 0.068577 0.382054 F\n0.709109 0.080777 0.621835 F\n0.290892 0.580778 0.878165 F\n0.916828 0.324929 0.545285 F\n","nsites":32,"nelements":4,"elements":["B","N","O","F"],"chemical_system":"B-F-N-O","density":2.320010593024359,"density_atomic":0.08415883439088225,"volume":380.2334030836681,"volume_molar":7.155684609448961,"formula_full":"B4 N4 O8 F16","formula_reduced":"BN(OF2)2","formula_anonymous":"ABC2D4","energy_above_hull":1.7987479954166663,"spacegroup":14},{"id":"jvasp-26417","created_at":"2022-09-04T14:37:51.007937Z","updated_at":"2022-09-04T14:37:51.007964Z","structure_string":"Ca2 Bi2 Cl2 O4\n1.0\n0.000000 6.392876 0.029951\n4.150602 0.000000 0.000000\n0.000000 -1.994633 -7.526254\nCa Bi Cl O\n2 2 2 4\ndirect\n0.671352 0.250000 0.920514 Ca\n0.328649 0.750000 0.079485 Ca\n0.682301 0.250000 0.408873 Bi\n0.317700 0.750000 0.591127 Bi\n0.055989 0.250000 0.813250 Cl\n0.944012 0.750000 0.186750 Cl\n0.529189 0.750000 0.401127 O\n0.470812 0.250000 0.598872 O\n0.511685 0.750000 0.857571 O\n0.488316 0.250000 0.142428 O\n","nsites":10,"nelements":4,"elements":["Ca","Bi","Cl","O"],"chemical_system":"Bi-Ca-Cl-O","density":5.270115551016112,"density_atomic":0.050136421639257994,"volume":199.4557982608349,"volume_molar":12.01150892524911,"formula_full":"Ca2 Bi2 Cl2 O4","formula_reduced":"CaBiClO2","formula_anonymous":"ABCD2","energy_above_hull":0.7079751575000001,"spacegroup":11},{"id":"jvasp-42516","created_at":"2022-09-04T14:38:00.927596Z","updated_at":"2022-09-04T14:38:00.927615Z","structure_string":"Li2 Mn3 Cu1 O8\n1.0\n5.820336 0.042374 0.029964\n2.946866 5.019372 0.029964\n2.946866 1.701374 4.722322\nLi Mn Cu O\n2 3 1 8\ndirect\n0.119622 0.119621 0.119621 Li\n0.497917 0.497914 0.497914 Li\n0.003953 0.499670 0.499670 Mn\n0.499672 0.003951 0.499670 Mn\n0.499672 0.499670 0.003951 Mn\n0.882632 0.882628 0.882627 Cu\n0.261879 0.261878 0.261878 O\n0.250399 0.250396 0.710583 O\n0.250399 0.710583 0.250396 O\n0.710585 0.250396 0.250396 O\n0.291634 0.745968 0.745968 O\n0.745971 0.291630 0.745968 O\n0.745971 0.745968 0.291630 O\n0.739720 0.739717 0.739716 O\n","nsites":14,"nelements":4,"elements":["Li","Mn","Cu","O"],"chemical_system":"Cu-Li-Mn-O","density":4.494620255316487,"density_atomic":0.10235091549982023,"volume":136.78431630662445,"volume_molar":5.883817189706113,"formula_full":"Li2 Mn3 Cu1 O8","formula_reduced":"Li2Mn3CuO8","formula_anonymous":"AB2C3D8","energy_above_hull":2.780597869581281,"spacegroup":160},{"id":"jvasp-25634","created_at":"2022-09-04T14:37:42.239590Z","updated_at":"2022-09-04T14:37:42.239611Z","structure_string":"Ba4 Ca2 U2 O12\n1.0\n0.000000 6.208028 0.002653\n6.159079 0.000000 0.000000\n0.000000 -6.185932 -8.707640\nBa Ca U O\n4 2 2 12\ndirect\n0.245087 0.016984 0.250413 Ba\n0.754914 0.516984 0.249588 Ba\n0.754914 0.983017 0.749588 Ba\n0.245087 0.483016 0.750413 Ba\n0.500000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.500000 U\n0.000000 0.500000 0.000000 U\n0.305457 0.489244 0.235699 O\n0.305457 0.010756 0.735699 O\n0.779682 0.283918 0.036279 O\n0.220319 0.716082 0.963722 O\n0.824311 0.758939 0.038578 O\n0.694544 0.510756 0.764301 O\n0.779682 0.216082 0.536279 O\n0.175690 0.258939 0.461422 O\n0.175690 0.241061 0.961422 O\n0.220319 0.783919 0.463722 O\n0.694544 0.989244 0.264301 O\n0.824311 0.741061 0.538578 O\n","nsites":20,"nelements":4,"elements":["Ba","Ca","U","O"],"chemical_system":"Ba-Ca-O-U","density":6.473263978666061,"density_atomic":0.06008858207645679,"volume":332.84193616937034,"volume_molar":10.022104952214416,"formula_full":"Ba4 Ca2 U2 O12","formula_reduced":"Ba2CaUO6","formula_anonymous":"ABC2D6","energy_above_hull":1.997027936,"spacegroup":14},{"id":"jvasp-29468","created_at":"2022-09-04T14:38:03.440371Z","updated_at":"2022-09-04T14:38:03.440396Z","structure_string":"Hg6 As2 S8 Cl2\n1.0\n7.579362 0.000000 -0.000000\n-3.789682 6.563921 -0.000000\n0.000000 0.000000 9.012700\nHg As S Cl\n6 2 8 2\ndirect\n0.503825 0.496175 0.746043 Hg\n0.496175 0.503825 0.246043 Hg\n0.496175 0.992350 0.246043 Hg\n0.007650 0.503825 0.246043 Hg\n0.992350 0.496175 0.746043 Hg\n0.503825 0.007650 0.746043 Hg\n0.000000 0.000000 0.724062 As\n0.000000 0.000000 0.224062 As\n0.147949 0.852051 0.864299 S\n0.295898 0.147949 0.364299 S\n0.333333 0.666667 0.103649 S\n0.147949 0.295898 0.864299 S\n0.666667 0.333333 0.603649 S\n0.704102 0.852051 0.864299 S\n0.852051 0.704102 0.364299 S\n0.852050 0.147949 0.364299 S\n0.333333 0.666667 0.528561 Cl\n0.666667 0.333333 0.028561 Cl\n","nsites":18,"nelements":4,"elements":["Hg","As","S","Cl"],"chemical_system":"As-Cl-Hg-S","density":6.224673883865601,"density_atomic":0.040144087852470076,"volume":448.38482981977774,"volume_molar":15.001314221240815,"formula_full":"Hg6 As2 S8 Cl2","formula_reduced":"Hg3AsS4Cl","formula_anonymous":"ABC3D4","energy_above_hull":0.6312444019444444,"spacegroup":186},{"id":"jvasp-24252","created_at":"2022-09-04T14:37:41.101115Z","updated_at":"2022-09-04T14:37:41.101134Z","structure_string":"Ba2 Sr2 Ta4 O14\n1.0\n3.956146 0.000000 -0.730365\n-0.519460 7.355301 -2.813741\n0.006347 0.017926 11.114128\nBa Sr Ta O\n2 2 4 14\ndirect\n0.738852 0.238851 0.477701 Ba\n0.261150 0.761150 0.522299 Ba\n0.500001 0.500000 -0.000000 Sr\n0.500000 0.000000 -0.000000 Sr\n0.102833 0.854879 0.205666 Ta\n0.102833 0.350787 0.205666 Ta\n0.897169 0.145122 0.794334 Ta\n0.897169 0.649213 0.794334 Ta\n0.592286 0.845618 0.184570 O\n0.078746 0.078746 0.157491 O\n0.886362 0.386361 0.772721 O\n0.193150 0.991790 0.386297 O\n0.000000 0.289426 0.000000 O\n0.193149 0.394509 0.386297 O\n0.592286 0.338953 0.184570 O\n0.000000 0.710573 0.000000 O\n0.806852 0.008211 0.613703 O\n0.806852 0.605492 0.613703 O\n0.407716 0.154382 0.815430 O\n0.921256 0.921255 0.842509 O\n0.407716 0.661047 0.815430 O\n0.113640 0.613640 0.227279 O\n","nsites":22,"nelements":4,"elements":["Ba","Sr","Ta","O"],"chemical_system":"Ba-O-Sr-Ta","density":7.171087709691445,"density_atomic":0.06797539844608888,"volume":323.64650304254036,"volume_molar":8.859294535472483,"formula_full":"Ba2 Sr2 Ta4 O14","formula_reduced":"BaSrTa2O7","formula_anonymous":"ABC2D7","energy_above_hull":2.9457668345454544,"spacegroup":71},{"id":"jvasp-42524","created_at":"2022-09-04T14:37:50.994418Z","updated_at":"2022-09-04T14:37:50.994435Z","structure_string":"Li4 Fe2 O4 F2\n1.0\n2.598768 4.300299 -0.018663\n-2.598768 4.300299 0.018663\n-2.024105 0.000000 4.754756\nLi Fe O F\n4 2 4 2\ndirect\n0.253060 0.245517 0.746103 Li\n0.564416 0.598480 0.770447 Li\n0.401519 0.435585 0.270447 Li\n0.754483 0.746941 0.246103 Li\n0.931157 0.865572 0.746524 Fe\n0.134428 0.068844 0.246524 Fe\n0.152082 0.706455 0.493969 O\n0.293546 0.847917 0.993969 O\n0.004421 0.484852 0.006258 O\n0.515149 -0.004422 0.506259 O\n0.663359 0.167612 0.986700 F\n0.832388 0.336642 0.486700 F\n","nsites":12,"nelements":4,"elements":["Li","Fe","O","F"],"chemical_system":"F-Fe-Li-O","density":3.7842410247507168,"density_atomic":0.11326261772514691,"volume":105.94846067499748,"volume_molar":5.3169711957513295,"formula_full":"Li4 Fe2 O4 F2","formula_reduced":"Li2FeO2F","formula_anonymous":"ABC2D2","energy_above_hull":1.4044637970833334,"spacegroup":9},{"id":"jvasp-26396","created_at":"2022-09-04T14:38:01.219770Z","updated_at":"2022-09-04T14:38:01.219803Z","structure_string":"Pr1 Bi2 Br1 O4\n1.0\n3.988850 0.000000 0.000000\n0.000000 3.988850 -0.000000\n0.000000 0.000000 9.331150\nPr Bi Br O\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.276237 Bi\n0.500000 0.500000 0.723763 Bi\n0.000000 0.000000 0.500000 Br\n0.500000 0.000000 0.159134 O\n0.500000 0.000000 0.840866 O\n0.000000 0.500000 0.840866 O\n0.000000 0.500000 0.159134 O\n","nsites":8,"nelements":4,"elements":["Pr","Bi","Br","O"],"chemical_system":"Bi-Br-O-Pr","density":7.860166783852254,"density_atomic":0.05388394771324446,"volume":148.46722149189586,"volume_molar":11.176131325878677,"formula_full":"Pr1 Bi2 Br1 O4","formula_reduced":"PrBi2BrO4","formula_anonymous":"ABC2D4","energy_above_hull":1.637817069375,"spacegroup":123}]}