{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-density_atomic&page=77","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-density_atomic&page=75","results":[{"id":"jvasp-44653","created_at":"2022-09-04T14:38:10.277751Z","updated_at":"2022-09-04T14:38:10.277777Z","structure_string":"Li7 Ni5 O12\n1.0\n2.478023 -4.292988 -0.007934\n2.473344 4.289362 0.003968\n-0.804107 1.393055 9.371462\nLi Ni O\n7 5 12\ndirect\n0.997423 0.499909 0.007505 Li\n0.345121 0.173816 0.007819 Li\n0.154875 0.826136 0.492190 Li\n0.502487 0.499909 0.492496 Li\n0.828694 0.173815 0.492182 Li\n0.671260 0.826136 0.007810 Li\n0.749972 0.499944 0.250000 Li\n0.416624 0.833249 0.250000 Ni\n0.584622 0.169243 0.750000 Ni\n0.915461 0.830924 0.750000 Ni\n0.083317 0.166634 0.250000 Ni\n0.250044 0.500089 0.750000 Ni\n0.548117 0.829621 0.641120 O\n0.218774 0.170675 0.641109 O\n0.429869 0.142770 0.362561 O\n0.143507 0.499948 0.362633 O\n0.712899 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0.135984 0.771964 O\n0.864015 0.614020 0.728035 O\n0.614018 0.864017 0.228035 O\n","nsites":8,"nelements":3,"elements":["Li","Fe","O"],"chemical_system":"Fe-Li-O","density":4.743817568064335,"density_atomic":0.12055914933414123,"volume":66.35746887884248,"volume_molar":4.99517522582136,"formula_full":"Li2 Fe2 O4","formula_reduced":"LiFeO2","formula_anonymous":"ABC2","energy_above_hull":1.8008481249999997,"spacegroup":141},{"id":"jvasp-119586","created_at":"2022-09-04T14:38:49.335248Z","updated_at":"2022-09-04T14:38:49.335273Z","structure_string":"Li5 Mn2 Co1 O8\n1.0\n2.832761 -0.000000 0.000000\n0.000000 5.797553 0.058417\n-0.000000 0.010057 8.081365\nLi Mn Co O\n5 2 1 8\ndirect\n0.000000 -0.010200 0.494289 Li\n0.500000 0.268605 0.275360 Li\n-0.000000 0.499640 0.005002 Li\n0.500000 0.739577 0.721744 Li\n-0.000000 0.510953 0.495582 Li\n0.000000 -0.002806 0.004610 Mn\n0.500000 0.254344 0.738801 Mn\n0.500000 0.745719 0.254934 Co\n-0.000000 0.528154 0.247698 O\n0.500000 0.770964 0.005418 O\n-0.000000 0.017020 0.763408 O\n0.500000 0.245772 0.520750 O\n-0.000000 0.472408 0.755398 O\n0.500000 0.751012 0.483075 O\n-0.000000 0.983510 0.238152 O\n0.500000 0.225327 0.995777 O\n","nsites":16,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.147736108477112,"density_atomic":0.12055522665586835,"volume":132.71925609391369,"volume_molar":4.995337761000225,"formula_full":"Li5 Mn2 Co1 O8","formula_reduced":"Li5Mn2CoO8","formula_anonymous":"AB2C5D8","energy_above_hull":2.567128961422414,"spacegroup":6},{"id":"jvasp-101732","created_at":"2022-09-04T14:36:44.364300Z","updated_at":"2022-09-04T14:36:44.364310Z","structure_string":"Cr1 B4 Mo1\n1.0\n4.194133 0.031536 -1.288439\n-0.732457 2.732077 -3.355495\n-0.037877 -0.032077 4.388351\nCr B Mo\n1 4 1\ndirect\n0.000001 -0.000004 0.000007 Cr\n0.079913 0.746378 0.333668 B\n0.587241 0.253684 0.333596 B\n0.920085 0.253626 0.666374 B\n0.412757 0.746317 0.666449 B\n0.499998 0.500004 0.000028 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O\n0.046639 0.226699 0.116146 O\n0.773302 0.953361 0.883854 O\n0.862314 0.371805 0.610833 O\n0.628195 0.137685 0.389168 O\n0.701643 0.517163 0.116400 O\n0.482837 0.298357 0.883601 O\n0.538738 0.721031 0.608422 O\n0.278970 0.461262 0.391579 O\n0.392489 0.860980 0.117424 O\n0.139021 0.607512 0.882577 O\n0.952083 0.788208 0.390299 O\n","nsites":24,"nelements":3,"elements":["Li","Co","O"],"chemical_system":"Co-Li-O","density":5.331261598426267,"density_atomic":0.12054102403706406,"volume":199.10234040006546,"volume_molar":4.995926331394287,"formula_full":"Li5 Co7 O12","formula_reduced":"Li5Co7O12","formula_anonymous":"A5B7C12","energy_above_hull":2.8818932625,"spacegroup":5},{"id":"jvasp-93868","created_at":"2022-09-04T14:36:20.773327Z","updated_at":"2022-09-04T14:36:20.773346Z","structure_string":"Ti2 H4\n1.0\n0.000000 0.000000 3.051797\n4.038960 -0.000000 0.000000\n-0.000000 4.038960 0.000000\nTi H\n2 4\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.500000 0.180614 0.819386 H\n0.500000 0.819386 0.180614 H\n0.000000 0.319386 0.319386 H\n0.000000 0.680614 0.680614 H\n","nsites":6,"nelements":2,"elements":["Ti","H"],"chemical_system":"H-Ti","density":3.327636403436381,"density_atomic":0.12051927330490492,"volume":49.78456835547324,"volume_molar":4.996827971875026,"formula_full":"Ti2 H4","formula_reduced":"TiH2","formula_anonymous":"AB2","energy_above_hull":2.553852777777778,"spacegroup":136},{"id":"jvasp-95246","created_at":"2022-09-04T14:35:51.436469Z","updated_at":"2022-09-04T14:35:51.436493Z","structure_string":"H24 C12 N16 O12\n1.0\n3.023778 3.552382 -1.818642\n-3.023778 3.552382 1.818642\n-0.196328 0.000000 24.836727\nH C N O\n24 12 16 12\ndirect\n0.739705 0.093877 0.501373 H\n0.070668 0.545670 0.200446 H\n0.545669 0.070668 0.299554 H\n0.929331 0.454330 0.799554 H\n0.454330 0.929331 0.700446 H\n0.176391 0.689674 0.135464 H\n0.689673 0.176392 0.364536 H\n0.823608 0.310326 0.864536 H\n0.310326 0.823608 0.635464 H\n0.595752 0.163562 0.202233 H\n0.404247 0.836437 0.797767 H\n0.836437 0.404247 0.702233 H\n0.163562 0.595752 0.297767 H\n0.468952 0.651270 0.379807 H\n0.348729 0.531048 0.879807 H\n0.531047 0.348730 0.620193 H\n0.722691 0.014134 0.042336 H\n0.014134 0.722691 0.457664 H\n0.277308 0.985866 0.957664 H\n0.985865 0.277308 0.542336 H\n0.906123 0.260294 0.001373 H\n0.260294 0.906123 0.498627 H\n0.093876 0.739705 0.998627 H\n0.651270 0.468952 0.120193 H\n0.151062 0.666720 0.705449 C\n0.333279 0.848937 0.205449 C\n0.848937 0.333280 0.294551 C\n0.666720 0.151063 0.794551 C\n0.061612 0.546580 0.374335 C\n0.546580 0.061613 0.125665 C\n0.938387 0.453419 0.625665 C\n0.804442 0.376364 0.062532 C\n0.376364 0.804443 0.437468 C\n0.195557 0.623636 0.937468 C\n0.623635 0.195557 0.562532 C\n0.453419 0.938387 0.874335 C\n0.186713 0.680016 0.178134 N\n0.680016 0.186713 0.321867 N\n0.813286 0.319983 0.821867 N\n0.319983 0.813286 0.678134 N\n0.484809 0.043981 0.176651 N\n0.515190 0.956019 0.823349 N\n0.956018 0.515191 0.676651 N\n0.043981 0.484809 0.323349 N\n0.303668 0.673391 0.393853 N\n0.326608 0.696331 0.893853 N\n0.696331 0.326608 0.606147 N\n0.802097 0.205928 0.032122 N\n0.205928 0.802097 0.467878 N\n0.197902 0.794072 0.967879 N\n0.794071 0.197903 0.532122 N\n0.673391 0.303668 0.106147 N\n0.660299 0.155626 0.742926 O\n0.155625 0.660300 0.757074 O\n0.498426 0.882031 0.101162 O\n0.882031 0.498426 0.398838 O\n0.501573 0.117969 0.898838 O\n0.080140 0.398047 0.944815 O\n0.919859 0.601953 0.055185 O\n0.601952 0.919859 0.444815 O\n0.398047 0.080140 0.555185 O\n0.844374 0.339700 0.242926 O\n0.117968 0.501573 0.601162 O\n0.339700 0.844374 0.257074 O\n","nsites":64,"nelements":4,"elements":["H","C","N","O"],"chemical_system":"C-H-N-O","density":1.8274653658681372,"density_atomic":0.1205190596399378,"volume":531.036337249943,"volume_molar":4.996836830615606,"formula_full":"H24 C12 N16 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O\n","nsites":20,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.2961318434477285,"density_atomic":0.12050752836352935,"volume":165.96473491404578,"volume_molar":4.997314974242351,"formula_full":"Li6 Mn2 Co2 O10","formula_reduced":"Li3MnCoO5","formula_anonymous":"ABC3D5","energy_above_hull":2.406831564137931,"spacegroup":12},{"id":"jvasp-112116","created_at":"2022-09-04T14:38:43.064504Z","updated_at":"2022-09-04T14:38:43.064525Z","structure_string":"Cd1 H14 C9 O4\n1.0\n4.057142 0.196317 0.482377\n1.391549 4.532208 -0.212011\n-0.359528 0.282863 12.759564\nCd H C O\n1 14 9 4\ndirect\n0.493375 0.269030 0.177079 Cd\n0.121124 0.652768 0.537090 H\n0.260485 0.043001 0.841627 H\n0.857174 0.029099 0.897390 H\n0.054587 0.100713 0.660082 H\n0.644127 0.095093 0.713163 H\n0.715554 0.643794 0.592821 H\n0.825645 0.163162 0.472490 H\n0.547240 0.506455 0.899244 H\n0.145418 0.531245 0.966147 H\n0.338303 0.586484 0.721805 H\n0.928025 0.580241 0.774823 H\n0.518932 0.671814 0.421798 H\n0.366528 0.026968 0.367743 H\n0.426463 0.167046 0.538173 H\n0.394635 0.810359 0.033451 C\n0.301533 0.668195 0.937745 C\n0.115941 0.888694 0.859903 C\n0.078276 0.731278 0.757435 C\n0.675134 0.017624 0.497162 C\n0.863660 0.795962 0.574527 C\n0.589758 0.866703 0.399147 C\n0.891021 0.764317 0.312803 C\n0.903804 0.950084 0.677342 C\n0.280156 0.096073 0.045966 O\n0.102350 0.496460 0.313415 O\n0.932704 0.945114 0.244971 O\n0.591643 0.648358 0.096336 O\n","nsites":28,"nelements":4,"elements":["Cd","H","C","O"],"chemical_system":"C-Cd-H-O","density":2.1339501387616844,"density_atomic":0.1204980560043527,"volume":232.36889397608678,"volume_molar":4.997707813462538,"formula_full":"Cd1 H14 C9 O4","formula_reduced":"CdH14C9O4","formula_anonymous":"AB4C9D14","energy_above_hull":4.479605848214286,"spacegroup":1},{"id":"jvasp-118995","created_at":"2022-09-04T14:38:31.990187Z","updated_at":"2022-09-04T14:38:31.990210Z","structure_string":"Li7 Mn4 Co1 O12\n1.0\n2.833755 -0.079083 0.042375\n0.133592 5.631183 1.307340\n-0.191595 -0.128884 12.441043\nLi Mn Co O\n7 4 1 12\ndirect\n0.000127 0.479354 0.017010 Li\n0.500040 0.328397 0.836746 Li\n0.500003 0.665831 0.166896 Li\n0.999909 0.848336 0.319731 Li\n0.499914 0.003446 0.496579 Li\n-0.000019 0.174936 0.662979 Li\n0.500005 0.165191 0.167759 Li\n0.000131 -0.001082 0.007223 Mn\n-0.000115 0.333487 0.327630 Mn\n0.500022 0.829597 0.832281 Mn\n0.000006 0.671182 0.666140 Mn\n0.499953 0.501951 0.499624 Co\n0.500350 0.225684 -0.001408 O\n0.000264 0.059040 0.836677 O\n-0.000026 0.412818 0.180397 O\n0.500144 0.562402 0.341940 O\n0.000166 0.727020 0.507852 O\n0.500250 0.903608 0.669901 O\n0.499855 0.767520 0.991424 O\n-0.000219 0.598224 0.827735 O\n0.000095 0.918582 0.153927 O\n0.499660 0.105754 0.335762 O\n-0.000278 0.278038 0.494330 O\n0.499780 0.440687 0.660868 O\n","nsites":24,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.328608008496825,"density_atomic":0.12048173296908432,"volume":199.20032197875517,"volume_molar":4.998384909972439,"formula_full":"Li7 Mn4 Co1 O12","formula_reduced":"Li7Mn4CoO12","formula_anonymous":"AB4C7D12","energy_above_hull":2.786090911063218,"spacegroup":6},{"id":"jvasp-11735","created_at":"2022-09-04T14:38:10.920889Z","updated_at":"2022-09-04T14:38:10.920916Z","structure_string":"Li4 Mn2 O6\n1.0\n4.864806 -0.000967 -0.820750\n-2.633774 4.090180 -0.820750\n-0.001993 -0.003654 5.008280\nLi Mn O\n4 2 6\ndirect\n0.338807 0.661194 0.500000 Li\n0.661195 0.338806 0.500000 Li\n0.500001 0.500000 0.000000 Li\n0.000001 0.000001 0.500000 Li\n0.167141 0.832860 0.000000 Mn\n0.832861 0.167139 0.000000 Mn\n0.068447 0.424262 0.774718 O\n0.575740 0.931554 0.225282 O\n0.779193 0.779192 0.771350 O\n0.220809 0.220809 0.228651 O\n0.424262 0.068446 0.774718 O\n0.931555 0.575739 0.225282 O\n","nsites":12,"nelements":3,"elements":["Li","Mn","O"],"chemical_system":"Li-Mn-O","density":3.8947180010720968,"density_atomic":0.1204668330588294,"volume":99.61248001049266,"volume_molar":4.999003133965609,"formula_full":"Li4 Mn2 O6","formula_reduced":"Li2MnO3","formula_anonymous":"AB2C3","energy_above_hull":2.0130546235632187,"spacegroup":12}]}