{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=energy_above_hull&page=3547","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=energy_above_hull&page=3545","results":[{"id":"jvasp-9388","created_at":"2022-09-04T14:38:08.962600Z","updated_at":"2022-09-04T14:38:08.962623Z","structure_string":"Nd2 Ta2 O8\n1.0\n0.000000 5.275225 -0.002576\n5.625124 0.000000 0.000000\n0.000000 -0.646723 -5.429802\nNd Ta O\n2 2 8\ndirect\n0.000000 0.764033 0.250000 Nd\n0.000000 0.235967 0.750000 Nd\n0.500001 0.688012 0.750000 Ta\n0.500001 0.311987 0.250000 Ta\n0.274337 0.561374 0.990556 O\n0.725665 0.561374 0.509444 O\n0.725664 0.438626 0.009444 O\n0.274337 0.438626 0.490556 O\n0.743612 0.091344 0.390125 O\n0.256390 0.091344 0.109876 O\n0.256390 0.908655 0.609876 O\n0.743612 0.908655 0.890125 O\n","nsites":12,"nelements":3,"elements":["Nd","Ta","O"],"chemical_system":"Nd-O-Ta","density":8.021500475739543,"density_atomic":0.07447300975047434,"volume":161.13220131973475,"volume_molar":8.08633997763417,"formula_full":"Nd2 Ta2 O8","formula_reduced":"NdTaO4","formula_anonymous":"ABC4","energy_above_hull":2.752089116666667,"spacegroup":13},{"id":"jvasp-50724","created_at":"2022-09-04T14:37:00.451100Z","updated_at":"2022-09-04T14:37:00.451126Z","structure_string":"Li1 Fe2 P2\n1.0\n-0.000000 3.755921 -0.000000\n1.877962 -1.877962 4.548849\n3.755921 -0.000000 0.000000\nLi Fe P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.500000 0.250000 Fe\n0.750000 0.500000 0.749999 Fe\n0.626638 0.253276 0.373361 P\n0.373362 0.746724 0.626638 P\n","nsites":5,"nelements":3,"elements":["Li","Fe","P"],"chemical_system":"Fe-Li-P","density":4.672838568781616,"density_atomic":0.07791760336817402,"volume":64.170351549112,"volume_molar":7.728857792948729,"formula_full":"Li1 Fe2 P2","formula_reduced":"Li(FeP)2","formula_anonymous":"AB2C2","energy_above_hull":2.7523664,"spacegroup":139},{"id":"jvasp-17920","created_at":"2022-09-04T14:38:10.068230Z","updated_at":"2022-09-04T14:38:10.068260Z","structure_string":"Y1 Ge2 Ru2\n1.0\n3.966724 0.000000 -1.565431\n-0.617783 3.918322 -1.565431\n-0.009941 -0.011631 5.783268\nY Ge Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.629903 0.629902 0.259806 Ge\n0.370097 0.370097 0.740195 Ge\n0.250000 0.750000 0.500000 Ru\n0.750000 0.250000 0.500000 Ru\n","nsites":5,"nelements":3,"elements":["Y","Ge","Ru"],"chemical_system":"Ge-Ru-Y","density":8.073336961183818,"density_atomic":0.0557138335947334,"volume":89.74431801570817,"volume_molar":10.809058310015969,"formula_full":"Y1 Ge2 Ru2","formula_reduced":"Y(GeRu)2","formula_anonymous":"AB2C2","energy_above_hull":2.75253167,"spacegroup":139},{"id":"jvasp-86328","created_at":"2022-09-04T14:36:16.914038Z","updated_at":"2022-09-04T14:36:16.914068Z","structure_string":"Ba2 N4\n1.0\n4.130800 -0.009802 0.928765\n1.753151 3.740330 0.928765\n0.000651 0.000412 7.297545\nBa N\n2 4\ndirect\n0.796509 0.203491 0.249999 Ba\n0.203491 0.796509 0.749999 Ba\n0.150445 0.442792 0.454644 N\n0.557208 0.849556 0.045355 N\n0.442791 0.150445 0.954644 N\n0.849555 0.557209 0.545354 N\n","nsites":6,"nelements":2,"elements":["Ba","N"],"chemical_system":"Ba-N","density":4.864818806567285,"density_atomic":0.053156924082379785,"volume":112.87334817758676,"volume_molar":11.328986512965285,"formula_full":"Ba2 N4","formula_reduced":"BaN2","formula_anonymous":"AB2","energy_above_hull":2.7525508233333333,"spacegroup":15},{"id":"jvasp-85829","created_at":"2022-09-04T14:35:58.986628Z","updated_at":"2022-09-04T14:35:58.986642Z","structure_string":"Ba2 N4\n1.0\n4.130678 -0.009709 0.928725\n1.753183 3.740179 0.928725\n0.000645 0.000408 7.297257\nBa N\n2 4\ndirect\n0.796479 0.203522 0.249999 Ba\n0.203522 0.796479 0.750000 Ba\n0.150446 0.442804 0.454636 N\n0.557196 0.849554 0.045363 N\n0.442805 0.150447 0.954636 N\n0.849554 0.557196 0.545363 N\n","nsites":6,"nelements":2,"elements":["Ba","N"],"chemical_system":"Ba-N","density":4.865400445818168,"density_atomic":0.053163279540770304,"volume":112.85985461823644,"volume_molar":11.327632177735932,"formula_full":"Ba2 N4","formula_reduced":"BaN2","formula_anonymous":"AB2","energy_above_hull":2.7525508233333333,"spacegroup":15},{"id":"jvasp-75637","created_at":"2022-09-04T14:36:10.946055Z","updated_at":"2022-09-04T14:36:10.946079Z","structure_string":"Zr1 As1 P1\n1.0\n-0.000000 3.123217 3.123217\n3.123217 0.000000 3.123217\n3.123217 3.123217 0.000000\nZr As P\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 As\n0.750001 0.750001 0.750001 P\n","nsites":3,"nelements":3,"elements":["Zr","As","P"],"chemical_system":"As-P-Zr","density":5.372073016765765,"density_atomic":0.04923622859200592,"volume":60.93074319033211,"volume_molar":12.231117070119714,"formula_full":"Zr1 As1 P1","formula_reduced":"ZrAsP","formula_anonymous":"ABC","energy_above_hull":2.7526505833333337,"spacegroup":216},{"id":"jvasp-119595","created_at":"2022-09-04T14:38:53.265970Z","updated_at":"2022-09-04T14:38:53.265987Z","structure_string":"Bi4 C4 O12\n1.0\n5.099046 0.022111 0.007441\n-0.027258 6.382827 -2.024655\n-0.007450 -1.181940 8.736648\nBi C O\n4 4 12\ndirect\n0.749971 0.742146 0.164399 Bi\n0.249973 0.742169 0.664412 Bi\n0.750027 0.257831 0.335589 Bi\n0.250029 0.257854 0.835602 Bi\n0.749997 0.753034 0.834021 C\n0.249994 0.752989 0.334011 C\n0.750006 0.247012 0.665990 C\n0.250004 0.246967 0.165980 C\n0.250000 0.248451 0.313402 O\n0.749997 0.248513 0.813417 O\n0.529929 0.248282 0.592884 O\n0.970087 0.248270 0.592880 O\n0.029913 0.751731 0.407121 O\n0.970077 0.751752 0.907123 O\n0.250003 0.751488 0.186584 O\n0.750001 0.751549 0.686599 O\n0.029924 0.248248 0.092878 O\n0.529915 0.751764 0.907130 O\n0.470071 0.751718 0.407116 O\n0.470085 0.248236 0.092871 O\n","nsites":20,"nelements":3,"elements":["Bi","C","O"],"chemical_system":"Bi-C-O","density":6.565018247485239,"density_atomic":0.07348891571521103,"volume":272.14988553519123,"volume_molar":8.194624592554046,"formula_full":"Bi4 C4 O12","formula_reduced":"BiCO3","formula_anonymous":"ABC3","energy_above_hull":2.75267296,"spacegroup":166},{"id":"jvasp-15590","created_at":"2022-09-04T14:36:58.653288Z","updated_at":"2022-09-04T14:36:58.653322Z","structure_string":"U1 Si2 Au2\n1.0\n3.958261 0.000000 -1.499391\n-0.567970 3.917300 -1.499391\n0.016216 0.018737 6.017238\nU Si Au\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.609974 0.609974 0.219948 Si\n0.390027 0.390027 0.780053 Si\n0.750000 0.250000 0.500001 Au\n0.250000 0.750000 0.500001 Au\n","nsites":5,"nelements":3,"elements":["U","Si","Au"],"chemical_system":"Au-Si-U","density":12.217969936763915,"density_atomic":0.05346228828851982,"volume":93.52386813330006,"volume_molar":11.264277966368228,"formula_full":"U1 Si2 Au2","formula_reduced":"U(SiAu)2","formula_anonymous":"AB2C2","energy_above_hull":2.752675668,"spacegroup":139},{"id":"jvasp-10797","created_at":"2022-09-04T14:38:33.952394Z","updated_at":"2022-09-04T14:38:33.952420Z","structure_string":"B3 As3 O12\n1.0\n2.288196 -3.963271 0.000000\n2.288196 3.963271 -0.000000\n0.000000 -0.000000 10.472896\nB As O\n3 3 12\ndirect\n0.000001 0.541793 0.166667 B\n0.458209 0.458209 0.500000 B\n0.541793 0.000001 0.833333 B\n0.000001 0.545101 0.666667 As\n0.545101 0.000001 0.333333 As\n0.454900 0.454900 0.000000 As\n0.315718 0.922911 0.721928 O\n0.607194 0.684284 0.388595 O\n0.878158 0.279528 0.796475 O\n0.401370 0.121843 0.463142 O\n0.598632 0.720474 0.870192 O\n0.922911 0.315718 0.278073 O\n0.279528 0.878158 0.203526 O\n0.077090 0.392807 0.055261 O\n0.392807 0.077090 0.944739 O\n0.121843 0.401370 0.536859 O\n0.720474 0.598632 0.129809 O\n0.684284 0.607194 0.611406 O\n","nsites":18,"nelements":3,"elements":["B","As","O"],"chemical_system":"As-B-O","density":3.926774651364194,"density_atomic":0.09476080186156383,"volume":189.95195952748713,"volume_molar":6.355096877290837,"formula_full":"B3 As3 O12","formula_reduced":"BAsO4","formula_anonymous":"ABC4","energy_above_hull":2.752678055555556,"spacegroup":152},{"id":"jvasp-61358","created_at":"2022-09-04T14:36:02.370972Z","updated_at":"2022-09-04T14:36:02.370992Z","structure_string":"B3 As3 O12\n1.0\n4.576576 -0.000067 -0.000078\n2.288179 3.963315 0.000002\n-0.000199 0.000117 10.472648\nB As O\n3 3 12\ndirect\n0.541797 0.000018 0.333329 B\n0.458209 0.541814 0.666653 B\n0.999997 0.458172 -0.000010 B\n0.545064 0.000026 0.833323 As\n0.454934 0.545086 0.166659 As\n0.000003 0.454882 0.499991 As\n0.077151 0.607128 0.111397 O\n0.684325 0.392763 0.555265 O\n0.392903 0.922890 0.221897 O\n0.922845 0.684295 0.888588 O\n0.279474 0.121821 0.963118 O\n0.720513 0.401300 0.036859 O\n0.121866 0.598656 0.629780 O\n0.607102 0.315796 0.778085 O\n0.401387 0.878177 0.703495 O\n0.878141 0.720522 0.370202 O\n0.598623 0.279555 0.296483 O\n0.315680 0.077088 0.444717 O\n","nsites":18,"nelements":3,"elements":["B","As","O"],"chemical_system":"As-B-O","density":3.926632981368789,"density_atomic":0.09475738308570929,"volume":189.9588128528071,"volume_molar":6.3553261644561205,"formula_full":"B3 As3 O12","formula_reduced":"BAsO4","formula_anonymous":"ABC4","energy_above_hull":2.752678055555556,"spacegroup":152},{"id":"jvasp-48959","created_at":"2022-09-04T14:36:02.592703Z","updated_at":"2022-09-04T14:36:02.592733Z","structure_string":"Li6 Fe2 B4 O12\n1.0\n5.012503 -0.018426 -0.006314\n0.051564 6.177110 -0.090936\n0.075489 2.037620 7.639572\nLi Fe B O\n6 2 4 12\ndirect\n0.172842 0.763642 0.890989 Li\n0.827663 0.531686 0.763569 Li\n0.325763 0.603191 0.574626 Li\n0.176035 0.469460 0.240771 Li\n0.677933 0.397978 0.429720 Li\n0.830843 0.237514 0.113349 Li\n0.348445 0.951423 0.232436 Fe\n0.655240 0.049726 0.771897 Fe\n0.336968 0.333140 0.927340 B\n0.169077 0.177941 0.586264 B\n0.834618 0.823213 0.418072 B\n0.666728 0.668017 0.076998 B\n0.215986 0.220892 0.085315 O\n0.787712 0.780270 0.919025 O\n0.114246 0.822473 0.412229 O\n0.699021 0.669467 0.537969 O\n0.396785 0.723983 0.102419 O\n0.205898 0.493504 0.811806 O\n0.606906 0.277169 0.901915 O\n0.797798 0.507651 0.192533 O\n0.304677 0.331691 0.466373 O\n0.889450 0.178686 0.592111 O\n0.296711 0.016400 0.717269 O\n0.706982 0.984741 0.287060 O\n","nsites":24,"nelements":4,"elements":["Li","Fe","B","O"],"chemical_system":"B-Fe-Li-O","density":2.717020366621627,"density_atomic":0.10106077894018332,"volume":237.48085312310243,"volume_molar":5.958929688800869,"formula_full":"Li6 Fe2 B4 O12","formula_reduced":"Li3Fe(BO3)2","formula_anonymous":"AB2C3D6","energy_above_hull":2.7527826388888887,"spacegroup":2},{"id":"jvasp-59909","created_at":"2022-09-04T14:37:17.051051Z","updated_at":"2022-09-04T14:37:17.051083Z","structure_string":"Li3 Co4 O8\n1.0\n5.437924 0.008787 8.269358\n2.479613 4.839691 8.269358\n0.010439 0.006393 4.954623\nLi Co O\n3 4 8\ndirect\n0.250000 0.750000 0.500001 Li\n0.749999 0.250000 0.500001 Li\n0.749999 0.750000 0.500002 Li\n0.001970 0.001970 0.000466 Co\n0.001242 0.498758 0.000001 Co\n0.498758 0.001242 0.000000 Co\n0.498029 0.498030 -0.000464 Co\n0.128685 0.128685 0.277271 O\n0.125005 0.639447 0.260033 O\n0.639447 0.125006 0.260033 O\n0.630826 0.630827 0.254966 O\n0.371315 0.371315 0.722730 O\n0.374994 0.860552 0.739970 O\n0.860552 0.374995 0.739969 O\n0.869173 0.869174 0.745038 O\n","nsites":15,"nelements":3,"elements":["Li","Co","O"],"chemical_system":"Co-Li-O","density":4.922854033357475,"density_atomic":0.1156392317868655,"volume":129.71376381716613,"volume_molar":5.207696961442463,"formula_full":"Li3 Co4 O8","formula_reduced":"Li3(CoO2)4","formula_anonymous":"A3B4C8","energy_above_hull":2.752794773333333,"spacegroup":12}]}