{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-energy_above_hull&page=518","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-energy_above_hull&page=516","results":[{"id":"jvasp-36732","created_at":"2022-09-04T14:37:59.852413Z","updated_at":"2022-09-04T14:37:59.852436Z","structure_string":"V1 Mo1\n1.0\n1.344282 -2.328365 0.000000\n1.344282 2.328365 0.000000\n-0.000000 0.000000 4.819139\nV Mo\n1 1\ndirect\n0.666666 0.333332 0.500000 V\n0.333332 0.666666 0.000000 Mo\n","nsites":2,"nelements":2,"elements":["V","Mo"],"chemical_system":"Mo-V","density":8.08491209045654,"density_atomic":0.06629627101817565,"volume":30.16760926797352,"volume_molar":9.083679470220856,"formula_full":"V1 Mo1","formula_reduced":"VMo","formula_anonymous":"AB","energy_above_hull":3.615305050000001,"spacegroup":187},{"id":"jvasp-86218","created_at":"2022-09-04T14:35:44.281708Z","updated_at":"2022-09-04T14:35:44.281732Z","structure_string":"B2 H12 N2\n1.0\n4.726544 0.000000 0.000000\n0.000000 4.974545 0.000000\n0.000000 0.000000 5.362388\nB H N\n2 12 2\ndirect\n0.175511 0.991646 0.000000 B\n0.824488 0.491646 0.500000 B\n0.722403 0.391544 0.312213 H\n0.842793 0.898614 0.344450 H\n0.722403 0.391544 0.687787 H\n0.277596 0.891543 0.812213 H\n0.277596 0.891543 0.187787 H\n0.083331 0.464991 0.500000 H\n0.916668 0.964990 0.000000 H\n0.157206 0.398614 0.155550 H\n0.455263 0.346239 0.000000 H\n0.544736 0.846238 0.500000 H\n0.842793 0.898614 0.655550 H\n0.157206 0.398614 0.844450 H\n0.758381 0.805804 0.500000 N\n0.241618 0.305805 0.000000 N\n","nsites":16,"nelements":3,"elements":["B","H","N"],"chemical_system":"B-H-N","density":0.8130080671220572,"density_atomic":0.12690089325869147,"volume":126.08264283359688,"volume_molar":4.7455463908545354,"formula_full":"B2 H12 N2","formula_reduced":"BH6N","formula_anonymous":"ABC6","energy_above_hull":3.615303229166667,"spacegroup":31},{"id":"jvasp-31154","created_at":"2022-09-04T14:38:19.071663Z","updated_at":"2022-09-04T14:38:19.071686Z","structure_string":"B2 H12 N2\n1.0\n5.360421 0.000000 0.000000\n0.000000 4.975483 0.000000\n0.000000 0.000000 4.727991\nB H N\n2 12 2\ndirect\n0.500000 0.188687 0.675622 B\n0.000000 0.688686 0.324378 B\n0.500000 0.162013 0.416859 H\n0.500000 0.543312 0.955187 H\n0.000000 0.043312 0.044813 H\n0.812139 0.588626 0.222314 H\n0.187861 0.588626 0.222314 H\n0.844392 0.095564 0.342799 H\n0.155608 0.095564 0.342799 H\n0.000000 0.662013 0.583141 H\n0.655608 0.595564 0.657201 H\n0.344392 0.595564 0.657201 H\n0.687861 0.088626 0.777686 H\n0.312139 0.088626 0.777686 H\n0.500000 0.502808 0.741624 N\n0.000000 0.002808 0.258376 N\n","nsites":16,"nelements":3,"elements":["B","H","N"],"chemical_system":"B-H-N","density":0.8129042061245129,"density_atomic":0.12688468179179943,"volume":126.09875182769368,"volume_molar":4.746152707291742,"formula_full":"B2 H12 N2","formula_reduced":"BH6N","formula_anonymous":"ABC6","energy_above_hull":3.615299479166667,"spacegroup":31},{"id":"jvasp-88026","created_at":"2022-09-04T14:35:53.007063Z","updated_at":"2022-09-04T14:35:53.007081Z","structure_string":"Y1 Cu1 W2 O8\n1.0\n4.644339 0.038238 -1.954388\n-1.124653 5.551552 -2.126274\n-0.053565 0.079973 6.063651\nY Cu W O\n1 1 2 8\ndirect\n0.624637 0.723179 0.099650 Y\n0.124936 0.223457 0.099848 Cu\n0.869107 0.396109 0.581673 W\n0.380209 0.050264 0.617657 W\n0.134944 0.656139 0.836229 O\n0.630477 0.511635 0.353885 O\n0.165650 0.199351 0.803178 O\n0.593193 0.053765 0.405640 O\n0.618723 0.934664 0.845387 O\n0.114296 0.790269 0.363087 O\n0.656131 0.392582 0.793693 O\n0.083694 0.247082 0.396171 O\n","nsites":12,"nelements":4,"elements":["Y","Cu","W","O"],"chemical_system":"Cu-O-W-Y","density":6.855455493928338,"density_atomic":0.07643782429254048,"volume":156.9903396788738,"volume_molar":7.878482695886594,"formula_full":"Y1 Cu1 W2 O8","formula_reduced":"YCu(WO4)2","formula_anonymous":"ABC2D8","energy_above_hull":3.615197825,"spacegroup":2},{"id":"jvasp-28970","created_at":"2022-09-04T14:37:08.066706Z","updated_at":"2022-09-04T14:37:08.066724Z","structure_string":"Te2 Mo2 W2 Se2 S4\n1.0\n3.312540 0.000000 0.000000\n-1.656270 2.868746 -0.000005\n0.000000 -0.000063 37.466380\nTe Mo W Se S\n2 2 2 2 4\ndirect\n0.333352 0.666704 0.708815 Te\n0.333352 0.666705 0.606092 Te\n0.333359 0.666718 0.469644 Mo\n0.666681 0.333361 0.281846 Mo\n0.333312 0.666624 0.093973 W\n0.666686 0.333373 0.657500 W\n0.333360 0.666722 0.326633 Se\n0.333349 0.666700 0.236989 Se\n0.666641 0.333282 0.053052 S\n0.666634 0.333267 0.428852 S\n0.666644 0.333288 0.134933 S\n0.666636 0.333270 0.510418 S\n","nsites":12,"nelements":5,"elements":["Te","Mo","W","Se","S"],"chemical_system":"Mo-S-Se-Te-W","density":5.134732061648957,"density_atomic":0.033704375443698316,"volume":356.03685996334434,"volume_molar":17.867534053730566,"formula_full":"Te2 Mo2 W2 Se2 S4","formula_reduced":"TeMoWSeS2","formula_anonymous":"ABCDE2","energy_above_hull":3.6150795055555554,"spacegroup":156},{"id":"jvasp-33415","created_at":"2022-09-04T14:38:03.472914Z","updated_at":"2022-09-04T14:38:03.472931Z","structure_string":"P4 H24 N8 O8\n1.0\n6.895532 0.000000 -3.475957\n0.000000 8.203540 0.000000\n-0.093319 0.000000 7.046909\nP H N O\n4 24 8 8\ndirect\n0.866516 0.467925 0.852603 P\n0.133484 0.967925 0.647396 P\n0.133484 0.532075 0.147396 P\n0.866516 0.032075 0.352603 P\n0.347528 0.244154 0.229395 H\n0.652471 0.744154 0.270605 H\n0.652471 0.755846 0.770605 H\n0.347528 0.255846 0.729395 H\n0.478531 0.063978 0.291380 H\n0.521468 0.563978 0.208620 H\n0.478531 0.436022 0.791380 H\n0.240928 0.070300 0.101120 H\n0.759071 0.570300 0.398879 H\n0.759071 0.929700 0.898879 H\n0.240928 0.429700 0.601120 H\n0.521468 0.936022 0.708620 H\n0.697864 0.592759 0.130947 H\n0.697864 0.907241 0.630947 H\n0.302135 0.407241 0.869053 H\n0.795961 0.279022 0.457952 H\n0.204039 0.779022 0.042048 H\n0.204039 0.720978 0.542048 H\n0.795961 0.220978 0.957952 H\n0.930131 0.308034 0.329209 H\n0.069869 0.808034 0.170790 H\n0.069869 0.691966 0.670790 H\n0.930130 0.191966 0.829209 H\n0.302135 0.092759 0.369053 H\n0.342293 0.118035 0.249585 N\n0.657706 0.618035 0.250414 N\n0.657706 0.881964 0.750414 N\n0.342293 0.381964 0.749585 N\n0.171170 0.767072 0.656938 N\n0.171170 0.732928 0.156938 N\n0.828829 0.267072 0.843062 N\n0.828829 0.232928 0.343062 N\n0.304670 0.450568 0.129843 O\n0.902487 0.516256 0.665682 O\n0.097512 0.016256 0.834318 O\n0.097512 0.483744 0.334318 O\n0.902487 0.983744 0.165682 O\n0.695329 0.549432 0.870157 O\n0.304670 0.049432 0.629843 O\n0.695330 0.950568 0.370157 O\n","nsites":44,"nelements":4,"elements":["P","H","N","O"],"chemical_system":"H-N-O-P","density":1.6276923199702302,"density_atomic":0.11112038791511651,"volume":395.96694023072575,"volume_molar":5.419474205399857,"formula_full":"P4 H24 N8 O8","formula_reduced":"PH6(NO)2","formula_anonymous":"AB2C2D6","energy_above_hull":3.614726272727272,"spacegroup":14},{"id":"jvasp-17398","created_at":"2022-09-04T14:38:31.086120Z","updated_at":"2022-09-04T14:38:31.086146Z","structure_string":"Fe3 Pd1 N1\n1.0\n3.849213 0.000000 -0.000000\n0.000000 3.849213 -0.000000\n0.000000 0.000000 3.849213\nFe Pd N\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 N\n","nsites":5,"nelements":3,"elements":["Fe","Pd","N"],"chemical_system":"Fe-N-Pd","density":8.384322880025403,"density_atomic":0.08767063914793247,"volume":57.031636230724516,"volume_molar":6.8690508230907765,"formula_full":"Fe3 Pd1 N1","formula_reduced":"Fe3PdN","formula_anonymous":"ABC3","energy_above_hull":3.61461309,"spacegroup":221},{"id":"jvasp-9660","created_at":"2022-09-04T14:37:27.567664Z","updated_at":"2022-09-04T14:37:27.567685Z","structure_string":"Mo4 O10\n1.0\n0.000000 3.800100 -0.000071\n3.739131 0.000000 0.000000\n0.000000 -0.000177 -13.044324\nMo O\n4 10\ndirect\n0.999941 0.750000 0.107020 Mo\n0.000058 0.250000 0.892980 Mo\n0.000061 0.250000 0.607019 Mo\n0.999938 0.750000 0.392980 Mo\n-0.000012 0.250000 0.060256 O\n0.000012 0.750000 0.939744 O\n0.000012 0.750000 0.560256 O\n-0.000013 0.250000 0.439743 O\n0.499965 0.750000 0.394582 O\n0.500034 0.250000 0.605418 O\n0.500032 0.250000 0.894582 O\n0.000037 0.250000 0.750000 O\n-0.000038 0.750000 0.250000 O\n0.499967 0.750000 0.105418 O\n","nsites":14,"nelements":2,"elements":["Mo","O"],"chemical_system":"Mo-O","density":4.871517629215898,"density_atomic":0.07553369877432992,"volume":185.3477352119011,"volume_molar":7.972786792809122,"formula_full":"Mo4 O10","formula_reduced":"Mo2O5","formula_anonymous":"A2B5","energy_above_hull":3.6144199,"spacegroup":65},{"id":"jvasp-30678","created_at":"2022-09-04T14:38:33.509856Z","updated_at":"2022-09-04T14:38:33.509880Z","structure_string":"Mo4 O10\n1.0\n3.739992 0.000023 0.000037\n0.000023 3.799317 -0.000262\n0.000110 0.000668 13.043325\nMo O\n4 10\ndirect\n0.018572 0.999945 0.142999 Mo\n0.518565 0.000054 0.357001 Mo\n0.518575 0.000054 0.642998 Mo\n0.018567 0.999948 0.857001 Mo\n0.518572 -0.000003 0.189752 O\n0.018567 0.000002 0.310247 O\n0.018576 0.000001 0.689752 O\n0.518570 -0.000000 0.810246 O\n0.018566 0.499959 0.855404 O\n0.518578 0.500041 0.644594 O\n0.518562 0.500037 0.355405 O\n0.518571 0.000047 0.499999 O\n0.018570 0.999953 0.000000 O\n0.018575 0.499964 0.144594 O\n","nsites":14,"nelements":2,"elements":["Mo","O"],"chemical_system":"Mo-O","density":4.871772963593395,"density_atomic":0.07553765777672394,"volume":185.33802095613743,"volume_molar":7.97236893126921,"formula_full":"Mo4 O10","formula_reduced":"Mo2O5","formula_anonymous":"A2B5","energy_above_hull":3.6143399,"spacegroup":65},{"id":"jvasp-97577","created_at":"2022-09-04T14:35:49.812825Z","updated_at":"2022-09-04T14:35:49.812850Z","structure_string":"Li2 C1 N2\n1.0\n3.392445 -0.000000 -1.327869\n-0.519753 3.352393 -1.327869\n0.034640 0.040425 5.085949\nLi C N\n2 1 2\ndirect\n0.749999 0.249999 0.499999 Li\n0.250000 0.749999 0.499999 Li\n0.000000 0.000000 0.000000 C\n0.140720 0.140720 0.281440 N\n0.859279 0.859278 0.718559 N\n","nsites":5,"nelements":3,"elements":["Li","C","N"],"chemical_system":"C-Li-N","density":1.5378758109129484,"density_atomic":0.08590219481577623,"volume":58.205730490622265,"volume_molar":7.010462041063023,"formula_full":"Li2 C1 N2","formula_reduced":"Li2CN2","formula_anonymous":"AB2C2","energy_above_hull":3.6139653,"spacegroup":139},{"id":"jvasp-62567","created_at":"2022-09-04T14:36:04.361994Z","updated_at":"2022-09-04T14:36:04.362021Z","structure_string":"Ba2 Na2 B18 O30\n1.0\n6.671540 -5.568724 0.012251\n6.671540 5.568724 0.012251\n2.007831 -0.000000 8.455111\nBa Na B O\n2 2 18 30\ndirect\n0.501974 0.501974 0.501974 Ba\n0.001974 0.001974 0.001974 Ba\n0.719523 0.719523 0.719523 Na\n0.219523 0.219523 0.219523 Na\n0.442573 0.932283 0.789218 B\n0.716185 0.839642 0.283346 B\n0.283346 0.716184 0.839642 B\n0.216185 0.783346 0.339642 B\n0.783346 0.339642 0.216184 B\n0.339642 0.216185 0.783346 B\n0.127404 0.276601 0.615185 B\n0.839642 0.283347 0.716184 B\n0.276601 0.615185 0.127404 B\n0.115186 0.776600 0.627404 B\n0.776601 0.627404 0.115185 B\n0.627404 0.115186 0.776601 B\n0.942573 0.289219 0.432283 B\n0.432283 0.942573 0.289218 B\n0.289219 0.432283 0.942573 B\n0.932283 0.789219 0.442573 B\n0.789219 0.442573 0.932283 B\n0.615185 0.127404 0.276601 B\n0.793340 0.774143 0.137600 O\n0.774142 0.137600 0.793340 O\n0.508157 0.237800 0.749969 O\n0.749969 0.508157 0.237800 O\n0.237800 0.749969 0.508157 O\n0.249969 0.737800 0.008157 O\n0.284155 0.928418 0.266968 O\n0.008157 0.249969 0.737800 O\n0.266968 0.284155 0.928418 O\n0.928418 0.266969 0.284155 O\n0.428418 0.784155 0.766968 O\n0.137600 0.793339 0.774142 O\n0.737800 0.008158 0.249969 O\n0.293340 0.637600 0.274142 O\n0.284977 0.461076 0.097130 O\n0.274143 0.293340 0.637600 O\n0.817327 0.314447 0.548759 O\n0.548760 0.817327 0.314447 O\n0.314447 0.548760 0.817327 O\n0.048760 0.814447 0.317327 O\n0.814447 0.317327 0.048760 O\n0.317327 0.048760 0.814447 O\n0.097130 0.284977 0.461076 O\n0.461076 0.097130 0.284977 O\n0.784155 0.766968 0.428418 O\n0.961076 0.784977 0.597130 O\n0.784977 0.597130 0.961076 O\n0.597130 0.961076 0.784977 O\n0.637600 0.274143 0.293340 O\n0.766968 0.428418 0.784155 O\n","nsites":52,"nelements":4,"elements":["Ba","Na","B","O"],"chemical_system":"B-Ba-Na-O","density":2.631623152809624,"density_atomic":0.08280597390776179,"volume":627.974016197469,"volume_molar":7.272592152237843,"formula_full":"Ba2 Na2 B18 O30","formula_reduced":"BaNa(B3O5)3","formula_anonymous":"ABC9D15","energy_above_hull":3.613831566153846,"spacegroup":161},{"id":"jvasp-1729","created_at":"2022-09-04T14:35:49.134542Z","updated_at":"2022-09-04T14:35:49.134574Z","structure_string":"Cd1 C1 N2\n1.0\n3.357205 0.000993 4.117436\n1.466544 3.019947 4.117436\n0.001586 0.000993 5.312636\nCd C N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500001 0.499999 0.500001 C\n0.583983 0.583981 0.583983 N\n0.416019 0.416018 0.416019 N\n","nsites":4,"nelements":3,"elements":["Cd","C","N"],"chemical_system":"C-Cd-N","density":4.702519387412473,"density_atomic":0.07431158227314683,"volume":53.82740990895893,"volume_molar":8.103905980449236,"formula_full":"Cd1 C1 N2","formula_reduced":"CdCN2","formula_anonymous":"ABC2","energy_above_hull":3.6138115625,"spacegroup":166}]}