{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-energy_above_hull&page=75","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-energy_above_hull&page=73","results":[{"id":"jvasp-110979","created_at":"2022-09-04T14:38:48.321538Z","updated_at":"2022-09-04T14:38:48.321560Z","structure_string":"Tc3 Mo1\n1.0\n2.766214 0.000000 0.000000\n-1.383107 2.395611 0.000000\n-0.000000 -0.000000 8.951996\nTc Mo\n3 1\ndirect\n0.333332 0.666666 -0.000000 Tc\n0.666665 0.333333 0.757691 Tc\n0.666665 0.333333 0.242309 Tc\n0.333332 0.666666 0.500000 Mo\n","nsites":4,"nelements":2,"elements":["Tc","Mo"],"chemical_system":"Mo-Tc","density":10.915029951660893,"density_atomic":0.0674276522452002,"volume":59.32284258473107,"volume_molar":8.931262708214318,"formula_full":"Tc3 Mo1","formula_reduced":"Tc3Mo","formula_anonymous":"AB3","energy_above_hull":5.6051226,"spacegroup":187},{"id":"jvasp-54362","created_at":"2022-09-04T14:37:34.849653Z","updated_at":"2022-09-04T14:37:34.849662Z","structure_string":"Lu4 C6 N12\n1.0\n5.984040 0.032747 8.656537\n2.724808 5.327779 8.656537\n0.053201 0.032747 10.523380\nLu C N\n4 6 12\ndirect\n0.664530 0.664532 0.664530 Lu\n0.835469 0.835471 0.835469 Lu\n0.335469 0.335470 0.335469 Lu\n0.164531 0.164531 0.164531 Lu\n0.449943 0.050058 0.750000 C\n0.550057 0.949944 0.250000 C\n0.949943 0.250001 0.550057 C\n0.250000 0.550058 0.949943 C\n0.750000 0.449944 0.050057 C\n0.050057 0.750000 0.449943 C\n0.358037 0.551321 0.959016 N\n0.948680 0.141964 0.540984 N\n0.551320 0.959017 0.358037 N\n0.040984 0.641963 0.448680 N\n0.641963 0.448681 0.040984 N\n0.051320 0.858038 0.459016 N\n0.540984 0.948681 0.141963 N\n0.459016 0.051320 0.858037 N\n0.959016 0.358038 0.551319 N\n0.858037 0.459017 0.051320 N\n0.448680 0.040984 0.641963 N\n0.141962 0.540985 0.948680 N\n","nsites":22,"nelements":3,"elements":["Lu","C","N"],"chemical_system":"C-Lu-N","density":4.712929012376956,"density_atomic":0.0664248843167698,"volume":331.2011789901729,"volume_molar":9.06609145343989,"formula_full":"Lu4 C6 N12","formula_reduced":"Lu2(CN2)3","formula_anonymous":"A2B3C6","energy_above_hull":5.604134636363636,"spacegroup":167},{"id":"jvasp-38820","created_at":"2022-09-04T14:38:03.165147Z","updated_at":"2022-09-04T14:38:03.165166Z","structure_string":"Ta2 Cr1 Ru1\n1.0\n0.000000 3.130714 3.130714\n3.130714 -0.000000 3.130714\n3.130714 3.130714 -0.000000\nTa Cr Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Ta\n0.250000 0.250000 0.250000 Cr\n0.749999 0.749999 0.749999 Ru\n","nsites":4,"nelements":3,"elements":["Ta","Cr","Ru"],"chemical_system":"Cr-Ru-Ta","density":13.933620588024402,"density_atomic":0.06517781686318634,"volume":61.370573494296885,"volume_molar":9.239555802614523,"formula_full":"Ta2 Cr1 Ru1","formula_reduced":"Ta2CrRu","formula_anonymous":"ABC2","energy_above_hull":5.603269075,"spacegroup":225},{"id":"jvasp-112397","created_at":"2022-09-04T14:38:40.862106Z","updated_at":"2022-09-04T14:38:40.862141Z","structure_string":"Mn6 Cr4 N8\n1.0\n6.049464 -0.057647 -0.377530\n-3.406327 5.499444 -0.000000\n0.023247 0.014399 5.386984\nMn Cr N\n6 4 8\ndirect\n0.360905 0.086593 0.948682 Mn\n0.639094 0.725686 0.551317 Mn\n0.639094 0.913406 0.051317 Mn\n0.360904 0.274312 0.448682 Mn\n-0.000000 0.675213 0.749999 Mn\n-0.000000 0.324786 0.250000 Mn\n0.684399 0.488591 0.131944 Cr\n0.315599 0.804191 0.368055 Cr\n0.684400 0.195808 0.631944 Cr\n0.315599 0.511408 0.868055 Cr\n0.262511 0.753211 0.021122 N\n0.278963 0.992709 0.608823 N\n0.721035 0.713745 0.891176 N\n0.721035 0.007290 0.391177 N\n0.278964 0.286254 0.108823 N\n0.737487 0.246788 0.978878 N\n0.262512 0.509300 0.521121 N\n0.737487 0.490699 0.478878 N\n","nsites":18,"nelements":3,"elements":["Mn","Cr","N"],"chemical_system":"Cr-Mn-N","density":6.0529384070953105,"density_atomic":0.10099487664816445,"volume":178.22686256359862,"volume_molar":5.962818075395363,"formula_full":"Mn6 Cr4 N8","formula_reduced":"Mn3(CrN2)2","formula_anonymous":"A2B3C4","energy_above_hull":5.601891058237548,"spacegroup":15},{"id":"jvasp-79567","created_at":"2022-09-04T14:37:12.877887Z","updated_at":"2022-09-04T14:37:12.877906Z","structure_string":"Al1 C3\n1.0\n3.223785 0.000000 0.000000\n0.000000 3.223785 0.000000\n-0.000000 0.000000 3.223785\nAl C\n1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500001 0.500001 C\n0.500001 0.000000 0.500001 C\n0.500001 0.500001 0.000000 C\n","nsites":4,"nelements":2,"elements":["Al","C"],"chemical_system":"Al-C","density":3.123096794874342,"density_atomic":0.11938830342253992,"volume":33.504119627558254,"volume_molar":5.044163110925865,"formula_full":"Al1 C3","formula_reduced":"AlC3","formula_anonymous":"AB3","energy_above_hull":5.5993457,"spacegroup":221},{"id":"jvasp-23510","created_at":"2022-09-04T14:37:38.456117Z","updated_at":"2022-09-04T14:37:38.456145Z","structure_string":"Cr12 C8\n1.0\n2.797896 -0.000000 0.000000\n-0.000000 5.483296 0.000000\n0.000000 0.000000 11.452348\nCr C\n12 8\ndirect\n0.750001 0.014388 0.402917 Cr\n0.750001 0.367988 0.568660 Cr\n0.250000 0.632013 0.431340 Cr\n0.250000 0.132013 0.068660 Cr\n0.750001 0.686913 0.726208 Cr\n0.250000 0.313088 0.273793 Cr\n0.750001 0.867988 0.931340 Cr\n0.250000 0.813088 0.226207 Cr\n0.250000 0.485612 0.902917 Cr\n0.750001 0.514389 0.097083 Cr\n0.250000 0.985612 0.597083 Cr\n0.750001 0.186913 0.773793 Cr\n0.250000 0.259624 0.452148 C\n0.750001 0.597226 0.296149 C\n0.250000 0.402775 0.703851 C\n0.750001 0.097225 0.203851 C\n0.250000 0.902775 0.796149 C\n0.250000 0.759624 0.047852 C\n0.750001 0.240376 0.952148 C\n0.750001 0.740377 0.547852 C\n","nsites":20,"nelements":2,"elements":["Cr","C"],"chemical_system":"C-Cr","density":6.805142166623978,"density_atomic":0.1138314325099795,"volume":175.69839506541058,"volume_molar":5.29040233194996,"formula_full":"Cr12 C8","formula_reduced":"Cr3C2","formula_anonymous":"A2B3","energy_above_hull":5.59907244,"spacegroup":62},{"id":"jvasp-41914","created_at":"2022-09-04T14:37:31.316943Z","updated_at":"2022-09-04T14:37:31.316964Z","structure_string":"Re6 Pd2\n1.0\n2.786305 -4.826023 0.000000\n2.786305 4.826023 -0.000000\n0.000000 -0.000000 4.446870\nRe Pd\n6 2\ndirect\n0.839573 0.679145 0.750000 Re\n0.839573 0.160429 0.750000 Re\n0.320857 0.160428 0.750000 Re\n0.160428 0.320857 0.250000 Re\n0.160429 0.839573 0.250000 Re\n0.679145 0.839573 0.250000 Re\n0.666668 0.333334 0.250000 Pd\n0.333334 0.666668 0.750000 Pd\n","nsites":8,"nelements":2,"elements":["Re","Pd"],"chemical_system":"Pd-Re","density":18.468220149910373,"density_atomic":0.06689405397132701,"volume":119.5920941408195,"volume_molar":9.002505308739828,"formula_full":"Re6 Pd2","formula_reduced":"Re3Pd","formula_anonymous":"AB3","energy_above_hull":5.598957424999999,"spacegroup":194},{"id":"jvasp-65242","created_at":"2022-09-04T14:36:16.127251Z","updated_at":"2022-09-04T14:36:16.127284Z","structure_string":"Ta4 Be1 Te1\n1.0\n0.000000 3.890830 3.890830\n3.890830 0.000000 3.890830\n3.890830 3.890830 -0.000000\nTa Be Te\n4 1 1\ndirect\n0.119299 0.626901 0.626901 Ta\n0.626901 0.626901 0.626901 Ta\n0.626901 0.119299 0.626901 Ta\n0.626901 0.626901 0.119299 Ta\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Te\n","nsites":6,"nelements":3,"elements":["Ta","Be","Te"],"chemical_system":"Be-Ta-Te","density":12.128151257747472,"density_atomic":0.05093244058912696,"volume":117.80311193806955,"volume_molar":11.823782034284854,"formula_full":"Ta4 Be1 Te1","formula_reduced":"Ta4BeTe","formula_anonymous":"ABC4","energy_above_hull":5.598560111111111,"spacegroup":216},{"id":"jvasp-107325","created_at":"2022-09-04T14:36:30.667191Z","updated_at":"2022-09-04T14:36:30.667220Z","structure_string":"La2 Y1 C6\n1.0\n4.199993 0.003384 0.552194\n2.449115 3.412007 0.552194\n0.013010 0.006683 10.013794\nLa Y C\n2 1 6\ndirect\n0.334135 0.334135 0.672947 La\n0.665863 0.665864 0.327052 La\n0.000000 0.000000 0.000000 Y\n0.736406 0.736406 0.881972 C\n0.065411 0.065410 0.535105 C\n0.401014 0.401015 0.180995 C\n0.263592 0.263593 0.118027 C\n0.598984 0.598984 0.819004 C\n0.934588 0.934589 0.464894 C\n","nsites":9,"nelements":3,"elements":["La","Y","C"],"chemical_system":"C-La-Y","density":5.0814158493599795,"density_atomic":0.06276685178171512,"volume":143.3877874152329,"volume_molar":9.594460434216545,"formula_full":"La2 Y1 C6","formula_reduced":"La2YC6","formula_anonymous":"AB2C6","energy_above_hull":5.597442827777778,"spacegroup":12},{"id":"jvasp-20186","created_at":"2022-09-04T14:37:33.985427Z","updated_at":"2022-09-04T14:37:33.985448Z","structure_string":"Hf4 Re8\n1.0\n2.638734 -4.570420 -0.000000\n2.638734 4.570420 0.000000\n-0.000000 0.000000 8.646776\nHf Re\n4 8\ndirect\n0.333332 0.666666 0.937790 Hf\n0.666666 0.333332 0.437789 Hf\n0.666666 0.333332 0.062211 Hf\n0.333332 0.666666 0.562211 Hf\n0.000000 0.000000 0.000000 Re\n0.000000 0.000000 0.500000 Re\n0.827999 0.172000 0.750000 Re\n0.172000 0.343999 0.250000 Re\n0.655999 0.827999 0.250000 Re\n0.343999 0.172000 0.750000 Re\n0.827999 0.655999 0.750000 Re\n0.172000 0.827999 0.250000 Re\n","nsites":12,"nelements":2,"elements":["Hf","Re"],"chemical_system":"Hf-Re","density":17.544826824652674,"density_atomic":0.05753674875353701,"volume":208.56235814440788,"volume_molar":10.466598983192972,"formula_full":"Hf4 Re8","formula_reduced":"HfRe2","formula_anonymous":"AB2","energy_above_hull":5.595779666666665,"spacegroup":194},{"id":"jvasp-103827","created_at":"2022-09-04T14:36:56.291467Z","updated_at":"2022-09-04T14:36:56.291490Z","structure_string":"H6 C11 S1 O2\n1.0\n6.052808 0.023308 -0.095512\n-2.859172 4.841596 -2.700618\n-0.044380 -0.045480 7.106043\nH C S O\n6 11 1 2\ndirect\n0.197729 0.289354 0.789441 H\n0.343766 0.950237 0.365846 H\n0.274096 0.452208 0.138765 H\n0.232246 0.432570 0.563168 H\n0.615502 0.890810 0.812611 H\n0.819238 0.835557 0.540911 H\n0.994855 0.850863 0.602513 C\n0.209547 0.105372 0.742854 C\n0.003556 0.609771 0.537813 C\n0.436967 0.123919 0.820001 C\n0.225422 0.620359 0.612969 C\n0.721294 0.106575 0.312263 C\n0.678185 0.396629 0.952689 C\n0.652743 0.634997 0.088656 C\n0.484637 0.904350 0.294585 C\n0.447589 0.638268 0.169199 C\n0.440305 0.878029 0.753258 C\n0.903979 0.971727 0.174026 S\n0.774405 0.371969 0.399020 O\n0.892514 0.420129 0.940887 O\n","nsites":20,"nelements":4,"elements":["H","C","S","O"],"chemical_system":"C-H-O-S","density":1.6149002571743214,"density_atomic":0.09617957793248559,"volume":207.94435190846065,"volume_molar":6.261350787198624,"formula_full":"H6 C11 S1 O2","formula_reduced":"H6C11SO2","formula_anonymous":"AB2C6D11","energy_above_hull":5.592238850000001,"spacegroup":1},{"id":"jvasp-59662","created_at":"2022-09-04T14:37:42.538945Z","updated_at":"2022-09-04T14:37:42.538957Z","structure_string":"Li2 Fe1 Cu1 C6 N6\n1.0\n6.281258 -0.000000 3.626486\n2.093753 5.922027 3.626486\n-0.000000 -0.000000 7.252972\nLi Fe Cu C N\n2 1 1 6 6\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750001 Li\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Cu\n0.817441 0.182560 0.817441 C\n0.182559 0.817441 0.817441 C\n0.817441 0.182560 0.182560 C\n0.182560 0.182560 0.817440 C\n0.182559 0.817441 0.182560 C\n0.817440 0.817441 0.182560 C\n0.702821 0.702821 0.297180 N\n0.297179 0.702821 0.297180 N\n0.702821 0.297179 0.297180 N\n0.297179 0.297179 0.702821 N\n0.297179 0.702821 0.702821 N\n0.702821 0.297179 0.702821 N\n","nsites":16,"nelements":5,"elements":["Li","Fe","Cu","C","N"],"chemical_system":"C-Cu-Fe-Li-N","density":1.7810687818931092,"density_atomic":0.05930440683485949,"volume":269.79445295783825,"volume_molar":10.154626074870626,"formula_full":"Li2 Fe1 Cu1 C6 N6","formula_reduced":"Li2FeCu(CN)6","formula_anonymous":"ABC2D6E6","energy_above_hull":5.592101590625,"spacegroup":225}]}