{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=volume&page=3510","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=volume&page=3508","results":[{"id":"jvasp-50996","created_at":"2022-09-04T14:37:14.020213Z","updated_at":"2022-09-04T14:37:14.020245Z","structure_string":"Nb4 H4 O12\n1.0\n6.702691 0.016072 -0.023783\n-2.192110 6.332626 0.030265\n-2.240159 -3.151836 5.421766\nNb H O\n4 4 12\ndirect\n0.023117 0.986642 0.473592 Nb\n0.494732 0.968262 0.981084 Nb\n0.556035 0.531457 0.512921 Nb\n0.992435 0.462911 0.977388 Nb\n0.839345 0.282633 0.458413 H\n0.208363 0.649399 0.457657 H\n0.476411 0.318629 0.772817 H\n0.247777 0.199161 0.043286 H\n0.613872 0.794408 0.803960 O\n0.393725 0.218715 0.177414 O\n0.702816 0.288760 0.970183 O\n0.315335 0.728292 0.023105 O\n0.351813 0.295527 0.617731 O\n0.224078 0.894199 0.680546 O\n0.222039 0.531531 0.330527 O\n0.813464 0.474002 0.670065 O\n0.004367 0.796397 0.189949 O\n0.821792 0.137055 0.327773 O\n0.723866 0.732943 0.418332 O\n0.045231 0.213500 0.820692 O\n","nsites":20,"nelements":3,"elements":["Nb","H","O"],"chemical_system":"H-Nb-O","density":4.090140373926305,"density_atomic":0.0867837491309975,"volume":230.45789332989744,"volume_molar":6.939249364428538,"formula_full":"Nb4 H4 O12","formula_reduced":"NbHO3","formula_anonymous":"ABC3","energy_above_hull":2.8239139800000004,"spacegroup":1},{"id":"jvasp-23410","created_at":"2022-09-04T14:37:32.673867Z","updated_at":"2022-09-04T14:37:32.673892Z","structure_string":"Ce4 Co2 Si6\n1.0\n4.026688 -6.974428 0.000000\n4.026688 6.974428 0.000000\n0.000000 -0.000000 4.103041\nCe Co Si\n4 2 6\ndirect\n0.500000 0.500000 0.000000 Ce\n0.500000 0.000000 0.000000 Ce\n0.000000 0.500000 0.000000 Ce\n0.000000 0.000000 0.000000 Ce\n0.333333 0.666667 0.500000 Co\n0.666667 0.333333 0.500000 Co\n0.340893 0.170447 0.500000 Si\n0.170447 0.829554 0.500000 Si\n0.170447 0.340893 0.500000 Si\n0.659107 0.829554 0.500000 Si\n0.829554 0.170447 0.500000 Si\n0.829554 0.659107 0.500000 Si\n","nsites":12,"nelements":3,"elements":["Ce","Co","Si"],"chemical_system":"Ce-Co-Si","density":6.101825329767687,"density_atomic":0.052070148708123806,"volume":230.45833933114542,"volume_molar":11.565437989733349,"formula_full":"Ce4 Co2 Si6","formula_reduced":"Ce2CoSi3","formula_anonymous":"AB2C3","energy_above_hull":3.03249295,"spacegroup":191},{"id":"jvasp-45302","created_at":"2022-09-04T14:38:18.723091Z","updated_at":"2022-09-04T14:38:18.723110Z","structure_string":"Mg4 Se4 O12\n1.0\n5.049728 0.000000 0.000000\n-0.000000 5.926685 0.000000\n0.000000 0.000000 7.700414\nMg Se O\n4 4 12\ndirect\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.982398 0.017647 0.250000 Se\n0.482398 0.482352 0.750000 Se\n0.517602 0.517647 0.250000 Se\n0.017602 0.982352 0.750000 Se\n0.823009 0.431083 0.750000 O\n0.323009 0.068917 0.250000 O\n0.858537 0.182052 0.077827 O\n0.358537 0.317947 0.922172 O\n0.641464 0.682052 0.422172 O\n0.358537 0.317947 0.577827 O\n0.141464 0.817947 0.922172 O\n0.641464 0.682052 0.077827 O\n0.176992 0.568916 0.250000 O\n0.858537 0.182052 0.422172 O\n0.141464 0.817947 0.577827 O\n0.676992 0.931083 0.750000 O\n","nsites":20,"nelements":3,"elements":["Mg","Se","O"],"chemical_system":"Mg-O-Se","density":4.359618295579769,"density_atomic":0.08678328583860966,"volume":230.45912362887339,"volume_molar":6.939286409596588,"formula_full":"Mg4 Se4 O12","formula_reduced":"MgSeO3","formula_anonymous":"ABC3","energy_above_hull":1.297486583333333,"spacegroup":62},{"id":"jvasp-38014","created_at":"2022-09-04T14:38:35.180339Z","updated_at":"2022-09-04T14:38:35.180355Z","structure_string":"Er4 Cr4 B16\n1.0\n3.436703 0.000000 0.000000\n0.000000 5.891498 0.000000\n0.000000 0.000000 11.382200\nEr Cr B\n4 4 16\ndirect\n0.000000 0.124601 0.599394 Er\n0.000000 0.875406 0.900605 Er\n0.000000 0.624601 0.400606 Er\n0.000000 0.375406 0.099395 Er\n0.000000 0.122288 0.329465 Cr\n0.000000 0.877722 0.170536 Cr\n0.000000 0.622288 0.670535 Cr\n0.000000 0.377722 0.829464 Cr\n0.500000 0.613666 0.797117 B\n0.500000 0.386345 0.702881 B\n0.500000 0.136557 0.782381 B\n0.500000 0.863449 0.717620 B\n0.500000 0.636557 0.217619 B\n0.500000 0.363448 0.282380 B\n0.500000 0.218639 0.934291 B\n0.500000 0.024956 0.057802 B\n0.500000 0.718639 0.065709 B\n0.500000 0.281368 0.434288 B\n0.500000 0.886345 0.297119 B\n0.500000 0.975054 0.442196 B\n0.500000 0.524956 0.942198 B\n0.500000 0.475054 0.557804 B\n0.500000 0.781368 0.565712 B\n0.500000 0.113666 0.202883 B\n","nsites":24,"nelements":3,"elements":["Er","Cr","B"],"chemical_system":"B-Cr-Er","density":7.565592725892502,"density_atomic":0.10413993269440164,"volume":230.45914644892213,"volume_molar":5.782739247270263,"formula_full":"Er4 Cr4 B16","formula_reduced":"ErCrB4","formula_anonymous":"ABC4","energy_above_hull":4.332437955555556,"spacegroup":55},{"id":"jvasp-112035","created_at":"2022-09-04T14:38:41.176693Z","updated_at":"2022-09-04T14:38:41.176717Z","structure_string":"C6 S4 O4\n1.0\n4.414116 -0.089355 -0.200820\n-0.344800 5.024310 -0.371853\n-0.302712 -0.047335 10.424219\nC S O\n6 4 4\ndirect\n0.669943 0.150463 0.204693 C\n0.669945 0.650464 0.704693 C\n0.159960 0.612603 0.804055 C\n0.159961 0.112605 0.304055 C\n0.369931 0.264249 0.223772 C\n0.369934 0.764247 0.723773 C\n0.250384 0.380097 0.892045 S\n0.250383 0.880100 0.392046 S\n0.722035 0.971397 0.074114 S\n0.722037 0.471397 0.574114 S\n0.303338 0.468002 0.175405 O\n0.303340 0.968000 0.675406 O\n0.872379 0.216352 0.308622 O\n0.872379 0.716348 0.808623 O\n","nsites":14,"nelements":3,"elements":["C","S","O"],"chemical_system":"C-O-S","density":1.9044456167695119,"density_atomic":0.0607455586678063,"volume":230.46952414349374,"volume_molar":9.913713680588128,"formula_full":"C6 S4 O4","formula_reduced":"C3(SO)2","formula_anonymous":"A2B2C3","energy_above_hull":4.347975285714286,"spacegroup":1},{"id":"jvasp-119677","created_at":"2022-09-04T14:38:36.747118Z","updated_at":"2022-09-04T14:38:36.747140Z","structure_string":"Ta4 Se4 N4\n1.0\n6.612500 -0.021523 2.535770\n1.182773 3.752558 -0.000000\n-0.020846 0.006570 9.269710\nTa Se N\n4 4 4\ndirect\n0.635353 0.682324 0.855372 Ta\n0.364646 0.317678 0.144628 Ta\n0.210021 0.394989 0.884028 Ta\n0.789978 0.605012 0.115973 Ta\n0.807567 0.596217 0.555286 Se\n0.192432 0.403785 0.444715 Se\n0.324824 0.837589 0.703599 Se\n0.675175 0.162412 0.296402 Se\n0.911767 0.544117 0.879064 N\n0.088232 0.455884 0.120936 N\n0.525574 0.237213 0.885999 N\n0.474425 0.762789 0.114002 N\n","nsites":12,"nelements":3,"elements":["Ta","Se","N"],"chemical_system":"N-Se-Ta","density":7.894207808589935,"density_atomic":0.05206736051996416,"volume":230.47068029113643,"volume_molar":11.566057314718176,"formula_full":"Ta4 Se4 N4","formula_reduced":"TaSeN","formula_anonymous":"ABC","energy_above_hull":3.6701152722222217,"spacegroup":12},{"id":"jvasp-22721","created_at":"2022-09-04T14:35:42.934111Z","updated_at":"2022-09-04T14:35:42.934134Z","structure_string":"Pb2 Br4\n1.0\n7.097100 -0.000000 0.000000\n-0.000000 7.097100 0.000000\n0.000000 0.000000 4.575662\nPb Br\n2 4\ndirect\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.499999 Pb\n0.300673 0.300673 0.000000 Br\n0.699328 0.699328 0.000000 Br\n0.800671 0.199327 0.499999 Br\n0.199327 0.800671 0.499999 Br\n","nsites":6,"nelements":2,"elements":["Pb","Br"],"chemical_system":"Br-Pb","density":5.288577085749342,"density_atomic":0.026033674177265327,"volume":230.47073414015748,"volume_molar":23.132120034209432,"formula_full":"Pb2 Br4","formula_reduced":"PbBr2","formula_anonymous":"AB2","energy_above_hull":0.0171533333333333,"spacegroup":136},{"id":"jvasp-9337","created_at":"2022-09-04T14:38:34.053676Z","updated_at":"2022-09-04T14:38:34.053705Z","structure_string":"Ba2 Y1 Sb3 O8\n1.0\n4.367784 0.000000 0.000000\n0.000000 4.367784 -0.000000\n0.000000 0.000000 12.080794\nBa Y Sb O\n2 1 3 8\ndirect\n0.500000 0.500000 0.835307 Ba\n0.500000 0.500000 0.164693 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.637848 Sb\n0.000000 0.000000 0.000000 Sb\n0.000000 0.000000 0.362152 Sb\n0.500000 0.000000 0.618713 O\n0.000000 0.500000 0.618713 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.809911 O\n0.500000 0.000000 0.381286 O\n0.000000 0.500000 0.381286 O\n0.000000 0.000000 0.190088 O\n0.500000 0.000000 0.000000 O\n","nsites":14,"nelements":4,"elements":["Ba","Y","Sb","O"],"chemical_system":"Ba-O-Sb-Y","density":6.173458543262756,"density_atomic":0.060744960037478424,"volume":230.4717953779586,"volume_molar":9.913811378399886,"formula_full":"Ba2 Y1 Sb3 O8","formula_reduced":"Ba2YSb3O8","formula_anonymous":"AB2C3D8","energy_above_hull":2.1898131207142857,"spacegroup":123},{"id":"jvasp-99591","created_at":"2022-09-04T14:36:34.652235Z","updated_at":"2022-09-04T14:36:34.652257Z","structure_string":"K2 Rb1 Bi1 F6\n1.0\n5.960051 -0.000000 3.441037\n1.986684 5.619190 3.441037\n-0.000000 -0.000000 6.882074\nK Rb Bi F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Bi\n0.767729 0.232270 0.232271 F\n0.232270 0.232270 0.767730 F\n0.232270 0.767730 0.767730 F\n0.232270 0.767730 0.232271 F\n0.767729 0.232270 0.767730 F\n0.767729 0.767730 0.232271 F\n","nsites":10,"nelements":4,"elements":["K","Rb","Bi","F"],"chemical_system":"Bi-F-K-Rb","density":3.505981363680398,"density_atomic":0.04338673496757155,"volume":230.485193400109,"volume_molar":13.880142777512797,"formula_full":"K2 Rb1 Bi1 F6","formula_reduced":"K2RbBiF6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-2592","created_at":"2022-09-04T14:36:56.363510Z","updated_at":"2022-09-04T14:36:56.363528Z","structure_string":"Ta1 Tl3 S4\n1.0\n6.307723 0.000000 -2.230117\n-3.153861 5.462648 -2.230117\n-0.000000 -0.000000 6.690351\nTa Tl S\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.000000 0.500000 Tl\n0.500000 0.500000 -0.000000 Tl\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.657378 S\n0.000000 0.657378 -0.000000 S\n0.657378 -0.000000 -0.000000 S\n0.342622 0.342622 0.342622 S\n","nsites":8,"nelements":3,"elements":["Ta","Tl","S"],"chemical_system":"S-Ta-Tl","density":6.643910600083068,"density_atomic":0.03470285887923716,"volume":230.52855754159285,"volume_molar":17.353442783940395,"formula_full":"Ta1 Tl3 S4","formula_reduced":"TaTl3S4","formula_anonymous":"AB3C4","energy_above_hull":1.7057121249999996,"spacegroup":217},{"id":"jvasp-62642","created_at":"2022-09-04T14:35:42.870707Z","updated_at":"2022-09-04T14:35:42.870728Z","structure_string":"Dy4 Mn4 B16\n1.0\n3.426286 0.000000 0.000000\n0.000000 5.899502 -0.000000\n0.000000 -0.000000 11.405537\nDy Mn B\n4 4 16\ndirect\n0.000000 0.125630 0.849513 Dy\n0.000000 0.874369 0.150487 Dy\n0.000000 0.374369 0.349513 Dy\n0.000000 0.625630 0.650487 Dy\n0.000000 0.127128 0.583552 Mn\n0.000000 0.872872 0.416448 Mn\n0.000000 0.372872 0.083552 Mn\n0.000000 0.627128 0.916448 Mn\n0.500001 0.525049 0.190779 B\n0.500001 0.474950 0.809221 B\n0.500001 0.887880 0.546283 B\n0.500001 0.112120 0.453717 B\n0.500001 0.612120 0.046283 B\n0.500001 0.387880 0.953718 B\n0.500001 0.861536 0.967850 B\n0.500001 0.780748 0.816432 B\n0.500001 0.638464 0.467849 B\n0.500001 0.361536 0.532151 B\n0.500001 0.025049 0.309221 B\n0.500001 0.219251 0.183569 B\n0.500001 0.719251 0.316431 B\n0.500001 0.280748 0.683569 B\n0.500001 0.138464 0.032151 B\n0.500001 0.974950 0.690779 B\n","nsites":24,"nelements":3,"elements":["Dy","Mn","B"],"chemical_system":"B-Dy-Mn","density":7.51044216208086,"density_atomic":0.10410139268054269,"volume":230.54446614032452,"volume_molar":5.784880110567034,"formula_full":"Dy4 Mn4 B16","formula_reduced":"DyMnB4","formula_anonymous":"ABC4","energy_above_hull":4.244439012452108,"spacegroup":55},{"id":"jvasp-57356","created_at":"2022-09-04T14:37:43.317559Z","updated_at":"2022-09-04T14:37:43.317592Z","structure_string":"Ni4 P4 O14\n1.0\n0.000000 4.477799 -0.006494\n9.917004 0.000000 0.000000\n0.000000 -0.671980 -5.190748\nNi P O\n4 4 14\ndirect\n0.098351 0.343122 0.420123 Ni\n0.901650 0.656877 0.579877 Ni\n0.901650 0.843122 0.079877 Ni\n0.098351 0.156878 0.920123 Ni\n0.643742 0.387940 0.842726 P\n0.356259 0.887940 0.657274 P\n0.643742 0.112060 0.342725 P\n0.356259 0.612060 0.157274 P\n0.500000 0.500000 -0.000000 O\n0.785527 0.457648 0.624782 O\n0.114830 0.821857 0.462326 O\n0.500000 0.000000 0.500000 O\n0.885171 0.178143 0.537673 O\n0.384227 0.206424 0.239745 O\n0.214474 0.542351 0.375218 O\n0.114830 0.678143 0.962326 O\n0.214474 0.957648 0.875218 O\n0.785527 0.042352 0.124781 O\n0.615773 0.706424 0.260254 O\n0.885171 0.321857 0.037673 O\n0.615773 0.793576 0.760255 O\n0.384227 0.293576 0.739745 O\n","nsites":22,"nelements":3,"elements":["Ni","P","O"],"chemical_system":"Ni-O-P","density":4.1967000306485,"density_atomic":0.09542586867149712,"volume":230.54545173421312,"volume_molar":6.3108052814600795,"formula_full":"Ni4 P4 O14","formula_reduced":"Ni2P2O7","formula_anonymous":"A2B2C7","energy_above_hull":2.5822591181818177,"spacegroup":14}]}