{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=volume_molar&page=498","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=volume_molar&page=496","results":[{"id":"jvasp-122080","created_at":"2022-09-04T14:38:55.183680Z","updated_at":"2022-09-04T14:38:55.183721Z","structure_string":"K2 Be4 B6 O14\n1.0\n6.562363 -0.001858 2.136503\n0.338606 6.553622 2.136503\n0.029427 0.027938 6.447967\nK Be B O\n2 4 6 14\ndirect\n0.178916 0.821084 0.750000 K\n0.821084 0.178915 0.250000 K\n0.057360 0.635530 0.341277 Be\n0.364471 0.942641 0.158723 Be\n0.942641 0.364470 0.658723 Be\n0.635530 0.057359 0.841277 Be\n0.733743 0.770528 0.182690 B\n0.229472 0.266258 0.317310 B\n0.266258 0.229472 0.817310 B\n0.770529 0.733742 0.682690 B\n0.548603 0.451397 0.750000 B\n0.451397 0.548603 0.250000 B\n0.077099 0.220104 0.807058 O\n0.779897 0.922901 0.692942 O\n0.650123 0.579368 0.234292 O\n0.420632 0.349877 0.265707 O\n0.349878 0.420631 0.765708 O\n0.579369 0.650123 0.734292 O\n0.299145 0.700855 0.250000 O\n0.055926 0.387255 0.380015 O\n0.387256 0.055926 0.880016 O\n0.944075 0.612744 0.619984 O\n0.700855 0.299145 0.750000 O\n0.220104 0.077099 0.307058 O\n0.612745 0.944074 0.119984 O\n0.922901 0.779896 0.192942 O\n","nsites":26,"nelements":4,"elements":["K","Be","B","O"],"chemical_system":"B-Be-K-O","density":2.420601150957509,"density_atomic":0.09402244340878718,"volume":276.5297205365978,"volume_molar":6.405003466903287,"formula_full":"K2 Be4 B6 O14","formula_reduced":"KBe2B3O7","formula_anonymous":"AB2C3D7","energy_above_hull":null,"spacegroup":15},{"id":"jvasp-78383","created_at":"2022-09-04T14:38:01.883794Z","updated_at":"2022-09-04T14:38:01.883803Z","structure_string":"O2\n1.0\n-2.199177 -2.199177 -0.000000\n-2.199177 0.000000 -2.199177\n-0.000000 -2.199177 -2.199177\nO\n2\ndirect\n0.750001 0.750001 0.750001 O\n0.000000 0.000000 0.000000 O\n","nsites":2,"nelements":1,"elements":["O"],"chemical_system":"O","density":2.4978838457104473,"density_atomic":0.0940198265322252,"volume":21.27210901962792,"volume_molar":6.405181738913246,"formula_full":"O2","formula_reduced":"O","formula_anonymous":"A","energy_above_hull":1.7603999999999995,"spacegroup":227},{"id":"jvasp-15722","created_at":"2022-09-04T14:36:53.302628Z","updated_at":"2022-09-04T14:36:53.302653Z","structure_string":"Na1 Ti1 O2\n1.0\n2.920512 0.022279 4.958193\n1.368735 2.580011 4.958193\n0.036721 0.022279 5.754279\nNa Ti O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.499999 0.500000 0.500000 Ti\n0.763256 0.763259 0.763259 O\n0.236741 0.236742 0.236742 O\n","nsites":4,"nelements":3,"elements":["Na","Ti","O"],"chemical_system":"Na-O-Ti","density":4.014410151040836,"density_atomic":0.09401666113181908,"volume":42.545650439464886,"volume_molar":6.4053973918053355,"formula_full":"Na1 Ti1 O2","formula_reduced":"NaTiO2","formula_anonymous":"ABC2","energy_above_hull":1.311713583333333,"spacegroup":166},{"id":"jvasp-48488","created_at":"2022-09-04T14:35:58.103670Z","updated_at":"2022-09-04T14:35:58.103690Z","structure_string":"Na2 Ni2 P2 O8\n1.0\n2.655590 4.182965 -0.000000\n-2.655590 4.182965 -0.000000\n0.000000 -0.000000 6.702768\nNa Ni P O\n2 2 2 8\ndirect\n0.312594 0.312594 0.750000 Na\n0.687407 0.687407 0.250000 Na\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.337514 0.337514 0.250000 P\n0.662487 0.662487 0.750000 P\n0.209647 0.689332 0.250000 O\n0.310669 0.790354 0.750000 O\n0.232765 0.232765 0.436521 O\n0.767236 0.767236 0.563480 O\n0.232765 0.232765 0.063479 O\n0.767236 0.767236 0.936521 O\n0.790354 0.310669 0.750000 O\n0.689332 0.209647 0.250000 O\n","nsites":14,"nelements":4,"elements":["Na","Ni","P","O"],"chemical_system":"Na-Ni-O-P","density":3.939802362922704,"density_atomic":0.09401531318031096,"volume":148.9119115430648,"volume_molar":6.4054892296643215,"formula_full":"Na2 Ni2 P2 O8","formula_reduced":"NaNiPO4","formula_anonymous":"ABCD4","energy_above_hull":1.841311557142857,"spacegroup":63},{"id":"jvasp-52817","created_at":"2022-09-04T14:36:12.927248Z","updated_at":"2022-09-04T14:36:12.927271Z","structure_string":"Li1 Al3 Si9 N14 O2\n1.0\n5.709014 -0.000850 -0.003979\n0.016098 7.880025 0.002539\n0.026794 3.904131 6.858375\nLi Al Si N O\n1 3 9 14 2\ndirect\n0.285365 0.333040 0.338636 Li\n0.542050 0.754798 0.166264 Al\n0.842942 0.424011 0.496611 Al\n0.340417 0.575750 0.909247 Al\n0.050688 0.250552 0.921974 Si\n0.331845 0.512185 0.570929 Si\n0.039848 0.915922 0.832491 Si\n0.342055 0.910514 0.514322 Si\n0.540092 0.093526 0.741285 Si\n0.840324 0.083186 0.428631 Si\n0.543086 0.171070 0.082174 Si\n0.851809 0.482505 0.080528 Si\n0.051051 0.832354 0.252880 Si\n0.799132 0.013356 0.676569 N\n0.291845 0.309285 0.019327 N\n0.053332 0.663227 0.954237 N\n0.073010 0.387276 0.672106 N\n0.414995 0.669299 0.653022 N\n0.297785 0.991462 0.685361 N\n0.280218 0.668711 0.320515 N\n0.795690 0.316745 0.000614 N\n0.563741 0.053185 0.342951 N\n0.540924 0.344659 0.587930 N\n0.544149 0.014452 0.987829 N\n0.918543 0.331579 0.324862 N\n0.041931 0.997289 0.003829 N\n0.065429 0.947957 0.393975 N\n0.580750 0.595211 0.059563 O\n0.805741 0.690238 0.314663 O\n","nsites":29,"nelements":5,"elements":["Li","Al","Si","N","O"],"chemical_system":"Al-Li-N-O-Si","density":3.061523048029216,"density_atomic":0.09400842318179208,"volume":308.48299565582795,"volume_molar":6.405958696227119,"formula_full":"Li1 Al3 Si9 N14 O2","formula_reduced":"LiAl3Si9(N7O)2","formula_anonymous":"AB2C3D9E14","energy_above_hull":4.866287527586207,"spacegroup":1},{"id":"jvasp-12687","created_at":"2022-09-04T14:37:56.771674Z","updated_at":"2022-09-04T14:37:56.771693Z","structure_string":"Li2 Cr2 P2 O8 F2\n1.0\n5.133056 -0.015572 -0.003959\n-0.761002 5.239473 0.001751\n-2.262875 -2.437561 6.332492\nLi Cr P O F\n2 2 2 8 2\ndirect\n0.269199 0.618530 0.195925 Li\n0.730801 0.381470 0.804074 Li\n0.000000 0.000000 0.000000 Cr\n-0.000001 -0.000000 0.500000 Cr\n0.320611 0.641605 0.761541 P\n0.679389 0.358395 0.238459 P\n0.312813 0.337440 0.658610 O\n0.687187 0.662559 0.341389 O\n0.370704 0.236501 0.073393 O\n0.748457 0.217506 0.400215 O\n0.629296 0.763498 0.926606 O\n0.251543 0.782493 0.599784 O\n0.111137 0.660397 0.881569 O\n0.888862 0.339603 0.118431 O\n0.132340 0.938006 0.265902 F\n0.867660 0.061993 0.734098 F\n","nsites":16,"nelements":5,"elements":["Li","Cr","P","O","F"],"chemical_system":"Cr-F-Li-O-P","density":3.373858897514489,"density_atomic":0.09400599874958386,"volume":170.2019042701871,"volume_molar":6.4061239070944485,"formula_full":"Li2 Cr2 P2 O8 F2","formula_reduced":"LiCrPO4F","formula_anonymous":"ABCDE4","energy_above_hull":2.3066633978125,"spacegroup":2},{"id":"jvasp-118677","created_at":"2022-09-04T14:38:46.869731Z","updated_at":"2022-09-04T14:38:46.869768Z","structure_string":"Mg1 C3\n1.0\n4.423120 0.802477 -0.136223\n1.930696 -3.558000 -0.682834\n-0.664200 -2.536035 -2.826322\nMg C\n1 3\ndirect\n0.443691 0.028121 0.728269 Mg\n0.040498 -0.080720 0.995197 C\n0.943617 0.028147 0.228032 C\n0.846871 0.136906 0.460976 C\n","nsites":4,"nelements":2,"elements":["Mg","C"],"chemical_system":"C-Mg","density":2.354610625223355,"density_atomic":0.09400383263356632,"volume":42.55145655169494,"volume_molar":6.406271522433279,"formula_full":"Mg1 C3","formula_reduced":"MgC3","formula_anonymous":"AB3","energy_above_hull":4.436109762499999,"spacegroup":2},{"id":"jvasp-49888","created_at":"2022-09-04T14:37:17.406706Z","updated_at":"2022-09-04T14:37:17.406718Z","structure_string":"Lu2 Cu4 O8\n1.0\n2.572984 4.954470 0.094705\n-3.622635 5.028124 -0.040301\n3.590044 1.187767 4.909983\nLu Cu O\n2 4 8\ndirect\n0.250000 0.875000 0.625000 Lu\n0.749999 0.125000 0.375001 Lu\n0.000000 0.500000 0.000000 Cu\n0.499999 0.500000 0.000001 Cu\n0.000000 0.500000 0.500000 Cu\n0.499999 0.000001 0.000001 Cu\n0.100800 0.727647 0.370853 O\n0.600799 0.870853 0.227648 O\n0.199349 0.528310 0.671512 O\n0.699348 0.171513 0.028311 O\n0.300651 0.828488 0.971690 O\n0.800650 0.471691 0.328488 O\n0.399200 0.129148 0.772353 O\n0.899199 0.272354 0.629148 O\n","nsites":14,"nelements":3,"elements":["Lu","Cu","O"],"chemical_system":"Cu-Lu-O","density":8.162546764863869,"density_atomic":0.09399968178843403,"volume":148.93667439757863,"volume_molar":6.406554411060762,"formula_full":"Lu2 Cu4 O8","formula_reduced":"Lu(CuO2)2","formula_anonymous":"AB2C4","energy_above_hull":1.3793772357142855,"spacegroup":88},{"id":"jvasp-23209","created_at":"2022-09-04T14:37:35.307253Z","updated_at":"2022-09-04T14:37:35.307273Z","structure_string":"Dy4 Ni4 O12\n1.0\n0.000000 5.187753 0.002474\n5.568935 0.000000 0.000000\n0.000000 -5.183938 -7.367267\nDy Ni O\n4 4 12\ndirect\n0.229565 0.576389 0.749997 Dy\n0.770435 0.076390 0.750004 Dy\n0.770435 0.423610 0.250004 Dy\n0.229565 0.923609 0.249997 Dy\n0.000000 0.500000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.000000 Ni\n0.649570 0.028190 0.250000 O\n0.350430 0.528190 0.250000 O\n0.742850 0.698070 0.049196 O\n0.257150 0.198070 0.450805 O\n0.257150 0.301929 0.950805 O\n0.855544 0.198070 0.049197 O\n0.144456 0.801929 0.950804 O\n0.855544 0.301929 0.549197 O\n0.350430 0.971809 0.750001 O\n0.144456 0.698070 0.450804 O\n0.742850 0.801929 0.549196 O\n0.649570 0.471809 0.750000 O\n","nsites":20,"nelements":3,"elements":["Dy","Ni","O"],"chemical_system":"Dy-Ni-O","density":8.403467048159305,"density_atomic":0.09399784661468948,"volume":212.7708316764196,"volume_molar":6.406679489888328,"formula_full":"Dy4 Ni4 O12","formula_reduced":"DyNiO3","formula_anonymous":"ABC3","energy_above_hull":1.57346788,"spacegroup":62},{"id":"jvasp-67368","created_at":"2022-09-04T14:35:58.904528Z","updated_at":"2022-09-04T14:35:58.904555Z","structure_string":"Be2 Cr1 Ir1\n1.0\n2.739508 0.000000 0.000000\n0.000000 2.739508 -0.000000\n-0.000000 -0.000000 5.670191\nBe Cr Ir\n2 1 1\ndirect\n0.000000 0.000000 0.024435 Be\n0.500000 0.500000 0.221944 Be\n0.000000 0.000000 0.480935 Cr\n0.500000 0.500000 0.772685 Ir\n","nsites":4,"nelements":3,"elements":["Be","Cr","Ir"],"chemical_system":"Be-Cr-Ir","density":10.232953472454549,"density_atomic":0.09399768482042382,"volume":42.55423958198255,"volume_molar":6.406690517436562,"formula_full":"Be2 Cr1 Ir1","formula_reduced":"Be2CrIr","formula_anonymous":"ABC2","energy_above_hull":3.210427675,"spacegroup":99},{"id":"jvasp-63283","created_at":"2022-09-04T14:36:14.732874Z","updated_at":"2022-09-04T14:36:14.732903Z","structure_string":"Y2 Ni3 B6\n1.0\n3.861492 -4.331782 0.000000\n3.861492 4.331782 0.000000\n0.000000 0.000000 3.498050\nY Ni B\n2 3 6\ndirect\n0.724665 0.275334 0.000000 Y\n0.275334 0.724665 0.000000 Y\n0.000000 0.000000 0.500000 Ni\n0.226895 0.226895 0.000000 Ni\n0.773104 0.773104 0.000000 Ni\n0.086766 0.388298 0.500000 B\n0.913234 0.611702 0.500000 B\n0.611702 0.913234 0.500000 B\n0.388298 0.086766 0.500000 B\n0.386590 0.386590 0.500000 B\n0.613409 0.613409 0.500000 B\n","nsites":11,"nelements":3,"elements":["Y","Ni","B"],"chemical_system":"B-Ni-Y","density":5.942023573366597,"density_atomic":0.09399720604067341,"volume":117.0247549192069,"volume_molar":6.40672315025424,"formula_full":"Y2 Ni3 B6","formula_reduced":"Y2(NiB2)3","formula_anonymous":"A2B3C6","energy_above_hull":3.883648509090909,"spacegroup":65},{"id":"jvasp-43736","created_at":"2022-09-04T14:38:15.447737Z","updated_at":"2022-09-04T14:38:15.447756Z","structure_string":"V6 O8 F4\n1.0\n0.000000 5.497002 0.006995\n4.629045 0.000000 0.000000\n0.000000 -0.648107 -7.526474\nV O F\n6 8 4\ndirect\n0.227268 0.489714 0.491634 V\n0.566264 0.529173 0.845412 V\n0.907819 0.486779 0.188976 V\n0.772731 0.989714 0.508365 V\n0.433735 0.029174 0.154587 V\n0.092180 0.986778 0.811023 V\n0.780975 0.799158 0.738215 O\n0.283854 0.694634 0.723355 O\n0.619752 0.697288 0.073932 O\n0.947941 0.701339 0.402772 O\n0.052058 0.201339 0.597227 O\n0.380246 0.197288 0.926067 O\n0.716145 0.194634 0.276644 O\n0.219024 0.299158 0.261783 O\n0.117173 0.798450 0.061037 F\n0.882826 0.298451 0.938962 F\n0.549186 0.303460 0.599758 F\n0.450812 0.803460 0.400241 F\n","nsites":18,"nelements":3,"elements":["V","O","F"],"chemical_system":"F-O-V","density":4.419259134959978,"density_atomic":0.09399640260506847,"volume":191.49669031088433,"volume_molar":6.406777911812632,"formula_full":"V6 O8 F4","formula_reduced":"V3(O2F)2","formula_anonymous":"A2B3C4","energy_above_hull":2.6470863516666667,"spacegroup":4}]}