{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=energy_above_hull&page=3424","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=energy_above_hull&page=3422","results":[{"id":"jvasp-10924","created_at":"2022-09-04T14:37:19.240486Z","updated_at":"2022-09-04T14:37:19.240508Z","structure_string":"Mg2 Mn4 O10\n1.0\n0.000000 4.478341 -0.000128\n3.490365 0.000000 0.000000\n0.000000 -0.000397 -11.446555\nMg Mn O\n2 4 10\ndirect\n0.092230 0.499999 0.750008 Mg\n0.907770 0.000000 0.249993 Mg\n0.550404 0.000000 0.900830 Mn\n0.449595 0.499999 0.099171 Mn\n0.449597 0.499999 0.400826 Mn\n0.550403 0.000000 0.599174 Mn\n0.594255 0.499999 0.249998 O\n0.405745 0.000000 0.750002 O\n0.432736 0.499999 0.923859 O\n0.567263 0.000000 0.076142 O\n0.432723 0.499999 0.576145 O\n0.567277 0.000000 0.423856 O\n0.923419 0.000000 0.633992 O\n0.076581 0.499999 0.366009 O\n0.076576 0.499999 0.133982 O\n0.923423 0.000000 0.866019 O\n","nsites":16,"nelements":3,"elements":["Mg","Mn","O"],"chemical_system":"Mg-Mn-O","density":3.9754960841093934,"density_atomic":0.0894246354241335,"volume":178.92161286555267,"volume_molar":6.734319610516158,"formula_full":"Mg2 Mn4 O10","formula_reduced":"MgMn2O5","formula_anonymous":"AB2C5","energy_above_hull":2.6287426290948277,"spacegroup":59},{"id":"jvasp-15026","created_at":"2022-09-04T14:36:59.962932Z","updated_at":"2022-09-04T14:36:59.962942Z","structure_string":"U2 Sb4\n1.0\n4.318024 0.000000 0.000000\n-0.000000 4.318024 -0.000000\n-0.000000 0.000000 8.760615\nU Sb\n2 4\ndirect\n0.500000 0.000000 0.279601 U\n0.000000 0.500000 0.720399 U\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.000000 Sb\n0.500000 0.000000 0.640002 Sb\n0.000000 0.500000 0.359998 Sb\n","nsites":6,"nelements":2,"elements":["U","Sb"],"chemical_system":"Sb-U","density":9.790723788632254,"density_atomic":0.03673216713405059,"volume":163.3445687564135,"volume_molar":16.39473309054367,"formula_full":"U2 Sb4","formula_reduced":"USb2","formula_anonymous":"AB2","energy_above_hull":2.6287693999999995,"spacegroup":129},{"id":"jvasp-75875","created_at":"2022-09-04T14:35:50.108951Z","updated_at":"2022-09-04T14:35:50.108979Z","structure_string":"Hf1 As1 Pd1\n1.0\n-0.000000 3.151858 3.151858\n3.151858 0.000000 3.151858\n3.151858 3.151858 -0.000000\nHf As Pd\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Hf\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 Pd\n","nsites":3,"nelements":3,"elements":["Hf","As","Pd"],"chemical_system":"As-Hf-Pd","density":9.541539938656745,"density_atomic":0.047906156600151135,"volume":62.62243128872784,"volume_molar":12.570703198471575,"formula_full":"Hf1 As1 Pd1","formula_reduced":"HfAsPd","formula_anonymous":"ABC","energy_above_hull":2.6288368166666665,"spacegroup":216},{"id":"jvasp-17497","created_at":"2022-09-04T14:38:03.638971Z","updated_at":"2022-09-04T14:38:03.638997Z","structure_string":"Sm3 Pb1 C1\n1.0\n5.768857 0.000000 0.000000\n0.000000 5.768857 0.000000\n-0.000000 -0.000000 5.768857\nSm Pb C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n0.500000 0.000000 0.500000 Sm\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 C\n","nsites":5,"nelements":3,"elements":["Sm","Pb","C"],"chemical_system":"C-Pb-Sm","density":5.797529540513403,"density_atomic":0.026043580020799338,"volume":191.9858942590389,"volume_molar":23.12332158324816,"formula_full":"Sm3 Pb1 C1","formula_reduced":"Sm3PbC","formula_anonymous":"ABC3","energy_above_hull":2.628893489,"spacegroup":221},{"id":"jvasp-17278","created_at":"2022-09-04T14:38:30.390600Z","updated_at":"2022-09-04T14:38:30.390627Z","structure_string":"Hf2 Si2 Se2\n1.0\n3.625738 0.000000 0.000000\n-0.000000 3.625738 0.000000\n-0.000000 0.000000 8.381503\nHf Si Se\n2 2 2\ndirect\n0.500000 0.000000 0.746003 Hf\n0.000000 0.500000 0.253997 Hf\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 Si\n0.000000 0.500000 0.623779 Se\n0.500000 0.000000 0.376221 Se\n","nsites":6,"nelements":3,"elements":["Hf","Si","Se"],"chemical_system":"Hf-Se-Si","density":8.606458176094106,"density_atomic":0.054454842847284496,"volume":110.18303765611184,"volume_molar":11.0589627021581,"formula_full":"Hf2 Si2 Se2","formula_reduced":"HfSiSe","formula_anonymous":"ABC","energy_above_hull":2.6289049888888893,"spacegroup":129},{"id":"jvasp-17300","created_at":"2022-09-04T14:38:30.113578Z","updated_at":"2022-09-04T14:38:30.113595Z","structure_string":"Ba1 Mn2 As2\n1.0\n3.741071 0.000000 -1.101501\n-0.324321 3.726987 -1.101501\n0.113057 0.123322 7.287699\nBa Mn As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250001 0.750000 0.500000 Mn\n0.750000 0.250000 0.500000 Mn\n0.644802 0.644802 0.289604 As\n0.355199 0.355198 0.710397 As\n","nsites":5,"nelements":3,"elements":["Ba","Mn","As"],"chemical_system":"As-Ba-Mn","density":6.4242664103822245,"density_atomic":0.04871955435779462,"volume":102.62819654055502,"volume_molar":12.360828910243349,"formula_full":"Ba1 Mn2 As2","formula_reduced":"Ba(MnAs)2","formula_anonymous":"AB2C2","energy_above_hull":2.628920790551724,"spacegroup":139},{"id":"jvasp-48139","created_at":"2022-09-04T14:36:56.067166Z","updated_at":"2022-09-04T14:36:56.067188Z","structure_string":"Li4 Ni4 C4 O16\n1.0\n0.000000 3.057665 0.009619\n9.164823 0.000000 0.000000\n0.000000 -2.647047 -9.044237\nLi Ni C O\n4 4 4 16\ndirect\n0.408082 0.602113 0.184367 Li\n0.591919 0.102113 0.315633 Li\n0.408082 0.897887 0.684368 Li\n0.591918 0.397887 0.815633 Li\n0.782887 0.881129 0.059559 Ni\n0.217114 0.381130 0.440441 Ni\n0.782887 0.618870 0.559560 Ni\n0.217114 0.118870 0.940441 Ni\n0.065847 0.661128 0.866302 C\n0.934154 0.161128 0.633699 C\n0.065847 0.838872 0.366302 C\n0.934154 0.338872 0.133698 C\n0.147396 0.527351 0.869352 O\n0.096606 0.233208 0.757775 O\n0.903395 0.733208 0.742225 O\n0.852605 0.027351 0.630648 O\n0.372617 0.493231 0.610671 O\n0.844289 0.234786 0.507369 O\n0.155712 0.765213 0.492631 O\n0.372617 0.006769 0.110670 O\n0.147396 0.972649 0.369352 O\n0.096606 0.266792 0.257775 O\n0.903395 0.766792 0.242225 O\n0.852605 0.472649 0.130648 O\n0.627384 0.993230 0.889330 O\n0.844289 0.265213 0.007369 O\n0.627384 0.506769 0.389330 O\n0.155712 0.734786 0.992631 O\n","nsites":28,"nelements":4,"elements":["Li","Ni","C","O"],"chemical_system":"C-Li-Ni-O","density":3.7155012955404962,"density_atomic":0.11057887390178067,"volume":253.2129240606158,"volume_molar":5.446013824800783,"formula_full":"Li4 Ni4 C4 O16","formula_reduced":"LiNiCO4","formula_anonymous":"ABCD4","energy_above_hull":2.6290309142857144,"spacegroup":14},{"id":"jvasp-49658","created_at":"2022-09-04T14:37:07.781928Z","updated_at":"2022-09-04T14:37:07.781962Z","structure_string":"Ca2 Pr2 Mn4 O12\n1.0\n5.409391 0.000000 0.000000\n0.000000 5.434340 0.000000\n0.000000 0.000000 7.636362\nCa Pr Mn O\n2 2 4 12\ndirect\n0.492181 0.710884 0.000000 Ca\n0.992181 0.289116 0.500000 Ca\n0.006832 0.217082 0.000000 Pr\n0.506832 0.782918 0.500000 Pr\n0.000376 0.749085 0.750388 Mn\n0.000376 0.749085 0.249611 Mn\n0.500376 0.250915 0.250388 Mn\n0.500376 0.250915 0.749611 Mn\n0.784795 0.034680 0.710904 O\n0.719039 0.531381 0.284856 O\n0.719039 0.531381 0.715144 O\n0.565977 0.263752 0.000000 O\n0.426566 0.239378 0.500000 O\n0.219039 0.468619 0.784856 O\n0.284795 0.965320 0.210904 O\n0.219039 0.468619 0.215144 O\n0.784795 0.034680 0.289096 O\n0.065978 0.736248 0.500000 O\n0.284795 0.965320 0.789096 O\n0.926566 0.760622 0.000000 O\n","nsites":20,"nelements":4,"elements":["Ca","Pr","Mn","O"],"chemical_system":"Ca-Mn-O-Pr","density":5.723334697697204,"density_atomic":0.08909396911755708,"volume":224.4820855787729,"volume_molar":6.759313587268683,"formula_full":"Ca2 Pr2 Mn4 O12","formula_reduced":"CaPrMn2O6","formula_anonymous":"ABC2D6","energy_above_hull":2.629090575275862,"spacegroup":31},{"id":"jvasp-119908","created_at":"2022-09-04T14:38:53.133210Z","updated_at":"2022-09-04T14:38:53.133236Z","structure_string":"Na1 B1 H4\n1.0\n3.124642 0.000000 0.000000\n-0.000000 3.124642 0.000000\n-0.000000 -0.000000 4.359418\nNa B H\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 B\n0.500000 0.000000 0.500000 H\n0.000000 0.500000 0.500000 H\n0.500000 0.500000 0.210084 H\n0.500000 0.500000 0.789916 H\n","nsites":6,"nelements":3,"elements":["Na","B","H"],"chemical_system":"B-H-Na","density":1.47599684496776,"density_atomic":0.1409685411038447,"volume":42.56268776719545,"volume_molar":4.271974947633018,"formula_full":"Na1 B1 H4","formula_reduced":"NaBH4","formula_anonymous":"ABC4","energy_above_hull":2.629233597222223,"spacegroup":123},{"id":"jvasp-26964","created_at":"2022-09-04T14:38:35.611607Z","updated_at":"2022-09-04T14:38:35.611643Z","structure_string":"Nd12 Co6 Sn1\n1.0\n8.135174 -0.000000 -2.876219\n-4.067586 7.045267 -2.876219\n0.000000 0.000000 8.628655\nNd Co Sn\n12 6 1\ndirect\n0.887904 0.694998 0.192905 Nd\n0.112096 0.305002 0.807094 Nd\n0.497907 0.305002 0.192905 Nd\n0.694997 0.192905 0.887903 Nd\n0.192905 0.887904 0.694997 Nd\n0.807094 0.112096 0.305002 Nd\n0.502092 0.694998 0.807094 Nd\n0.807094 0.502093 0.694997 Nd\n0.305002 0.807095 0.112096 Nd\n0.192905 0.497908 0.305002 Nd\n0.694997 0.807095 0.502092 Nd\n0.305002 0.192905 0.497907 Nd\n0.500000 0.388349 0.888349 Co\n0.500000 0.611651 0.111650 Co\n0.388349 0.888350 0.499999 Co\n0.888349 0.500000 0.388349 Co\n0.611650 0.111651 0.500000 Co\n0.111650 0.500000 0.611650 Co\n0.000000 0.000000 0.000000 Sn\n","nsites":19,"nelements":3,"elements":["Nd","Co","Sn"],"chemical_system":"Co-Nd-Sn","density":7.3977254369087415,"density_atomic":0.0384190120879478,"volume":494.54681334610314,"volume_molar":15.67489748620884,"formula_full":"Nd12 Co6 Sn1","formula_reduced":"Nd12Co6Sn","formula_anonymous":"AB6C12","energy_above_hull":2.629243952631579,"spacegroup":204},{"id":"jvasp-98636","created_at":"2022-09-04T14:36:17.952139Z","updated_at":"2022-09-04T14:36:17.952152Z","structure_string":"Na8 Te4 H40 O32\n1.0\n6.677936 3.678778 -0.847417\n-6.677936 3.678778 0.847417\n0.104157 0.000000 17.021862\nNa Te H O\n8 4 40 32\ndirect\n0.469051 0.564037 0.575156 Na\n0.564037 0.469051 0.924844 Na\n0.530950 0.435963 0.424844 Na\n0.435963 0.530949 0.075156 Na\n0.516372 0.516371 0.750000 Na\n0.483629 0.483629 0.250000 Na\n0.000000 0.500000 0.500000 Na\n0.500000 -0.000000 -0.000000 Na\n0.147325 0.825570 0.183255 Te\n0.825570 0.147325 0.316745 Te\n0.852676 0.174430 0.816745 Te\n0.174431 0.852675 0.683255 Te\n0.875270 0.768186 0.342713 H\n0.768186 0.875270 0.157287 H\n0.832045 0.843293 0.455188 H\n0.843293 0.832045 0.044812 H\n0.167956 0.156707 0.544812 H\n0.156707 0.167955 0.955188 H\n0.874138 0.805236 0.545536 H\n0.125863 0.194764 0.454464 H\n0.588076 0.911045 0.655866 H\n0.795906 0.901209 0.655619 H\n0.901209 0.795906 0.844381 H\n0.204095 0.098791 0.344381 H\n0.098791 0.204095 0.155619 H\n0.231814 0.124730 0.842713 H\n0.911045 0.588076 0.844134 H\n0.411924 0.088956 0.344134 H\n0.088956 0.411924 0.155866 H\n0.194764 0.125862 0.045536 H\n0.124730 0.231814 0.657287 H\n0.805236 0.874138 0.954463 H\n0.877771 0.556792 0.340050 H\n0.556792 0.877770 0.159950 H\n0.774418 0.469308 0.646701 H\n0.469309 0.774418 0.853299 H\n0.530692 0.225583 0.146701 H\n0.554886 0.253250 0.647318 H\n0.253251 0.554886 0.852682 H\n0.445115 0.746750 0.352682 H\n0.746750 0.445115 0.147318 H\n0.432964 0.840471 0.458918 H\n0.225583 0.530692 0.353299 H\n0.567037 0.159529 0.541082 H\n0.159530 0.567036 0.958918 H\n0.366013 0.851294 0.543598 H\n0.851295 0.366013 0.956402 H\n0.633988 0.148706 0.456402 H\n0.148706 0.633987 0.043598 H\n0.122230 0.443208 0.659950 H\n0.840471 0.432964 0.041082 H\n0.443209 0.122230 0.840050 H\n0.755959 0.341671 0.997728 O\n0.733545 0.780757 0.000942 O\n0.219244 0.266456 0.500942 O\n0.266456 0.219244 0.999058 O\n0.651973 0.828592 0.673527 O\n0.828593 0.651973 0.826473 O\n0.348027 0.171408 0.326473 O\n0.376772 0.595943 0.345760 O\n0.623228 0.404057 0.654240 O\n0.404058 0.623228 0.845759 O\n0.595943 0.376772 0.154240 O\n0.341671 0.755959 0.502272 O\n0.780757 0.733544 0.499058 O\n0.171408 0.348027 0.173527 O\n0.622331 0.794257 0.172598 O\n0.992655 0.420561 0.874260 O\n0.377670 0.205743 0.827402 O\n0.205743 0.377669 0.672597 O\n0.402497 0.968547 0.134035 O\n0.968547 0.402497 0.365965 O\n0.597503 0.031454 0.865965 O\n0.031454 0.597503 0.634035 O\n0.007345 0.579440 0.125740 O\n0.579440 0.007345 0.374260 O\n0.420561 0.992655 0.625740 O\n0.023792 0.962446 0.125514 O\n0.962447 0.023792 0.374486 O\n0.976208 0.037554 0.874486 O\n0.037554 0.976208 0.625514 O\n0.658329 0.244042 0.497728 O\n0.794258 0.622331 0.327402 O\n0.244042 0.658329 0.002272 O\n","nsites":84,"nelements":4,"elements":["Na","Te","H","O"],"chemical_system":"H-Na-O-Te","density":2.4732157201082825,"density_atomic":0.10035968675928437,"volume":836.9894597367212,"volume_molar":6.000557549012961,"formula_full":"Na8 Te4 H40 O32","formula_reduced":"Na2Te(H5O4)2","formula_anonymous":"AB2C8D10","energy_above_hull":2.6292777984126987,"spacegroup":15},{"id":"jvasp-20981","created_at":"2022-09-04T14:37:40.109107Z","updated_at":"2022-09-04T14:37:40.109123Z","structure_string":"Er8 Si12 Rh4\n1.0\n4.080850 -7.068239 0.000000\n4.080850 7.068239 0.000000\n0.000000 0.000000 7.786019\nEr Si Rh\n8 12 4\ndirect\n0.508822 0.491178 0.250000 Er\n0.508822 0.017643 0.250000 Er\n0.017643 0.508822 0.750000 Er\n0.491178 0.508822 0.750000 Er\n0.491178 0.982357 0.750000 Er\n0.982357 0.491178 0.250000 Er\n0.000000 0.000000 0.750000 Er\n0.000000 0.000000 0.250000 Er\n0.166925 0.333850 0.000440 Si\n0.833075 0.666150 0.500440 Si\n0.833075 0.166925 0.500440 Si\n0.166925 0.833075 0.000440 Si\n0.666150 0.833075 0.000440 Si\n0.333850 0.166925 0.999560 Si\n0.833075 0.166925 0.999560 Si\n0.333850 0.166925 0.500440 Si\n0.166925 0.833075 0.499560 Si\n0.666150 0.833075 0.499560 Si\n0.166925 0.333850 0.499560 Si\n0.833075 0.666150 0.999560 Si\n0.666667 0.333333 0.533588 Rh\n0.333333 0.666667 0.033588 Rh\n0.666667 0.333333 0.966412 Rh\n0.333333 0.666667 0.466412 Rh\n","nsites":24,"nelements":3,"elements":["Er","Si","Rh"],"chemical_system":"Er-Rh-Si","density":7.71446767274597,"density_atomic":0.05343230742577895,"volume":449.16645296177046,"volume_molar":11.270598351690419,"formula_full":"Er8 Si12 Rh4","formula_reduced":"Er2Si3Rh","formula_anonymous":"AB2C3","energy_above_hull":2.6293314666666667,"spacegroup":194}]}