{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-volume_molar&page=4599","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-volume_molar&page=4597","results":[{"id":"jvasp-92328","created_at":"2022-09-04T14:36:07.670550Z","updated_at":"2022-09-04T14:36:07.670562Z","structure_string":"H2 C2 S1\n1.0\n2.844779 -0.000000 0.000000\n-1.422389 2.463651 0.000000\n0.000000 -0.000000 5.725831\nH C S\n2 2 1\ndirect\n0.666668 0.333333 0.640948 H\n0.333333 0.666665 0.359052 H\n0.333333 0.666665 0.166993 C\n0.666668 0.333333 0.833005 C\n0.000000 0.000000 0.000000 S\n","nsites":5,"nelements":3,"elements":["H","C","S"],"chemical_system":"C-H-S","density":2.404230086967781,"density_atomic":0.1245959023307736,"volume":40.1297306449625,"volume_molar":4.833337732096995,"formula_full":"H2 C2 S1","formula_reduced":"H2C2S","formula_anonymous":"AB2C2","energy_above_hull":4.257386,"spacegroup":164},{"id":"jvasp-54721","created_at":"2022-09-04T14:36:58.182500Z","updated_at":"2022-09-04T14:36:58.182521Z","structure_string":"Ga4 H4 O8\n1.0\n4.936767 3.003788 0.000000\n0.000000 3.003788 4.329277\n4.936767 0.000000 4.329277\nGa H O\n4 4 8\ndirect\n0.072704 0.072704 0.677297 Ga\n0.590423 0.590423 0.159577 Ga\n0.840423 0.840423 0.409577 Ga\n0.322704 0.322704 0.927297 Ga\n0.571232 0.092210 0.192104 H\n0.807897 0.355546 0.428769 H\n0.092210 0.571232 0.644454 H\n0.355546 0.807897 0.907791 H\n0.035139 0.625772 -0.138800 O\n0.625772 0.035139 0.977891 O\n0.138800 0.022110 0.964862 O\n0.022110 0.138800 0.374229 O\n0.533743 0.131252 0.356134 O\n0.643867 0.521129 0.466258 O\n0.131252 0.533743 0.478871 O\n0.521129 0.643867 -0.131252 O\n","nsites":16,"nelements":3,"elements":["Ga","H","O"],"chemical_system":"Ga-H-O","density":5.314323644571766,"density_atomic":0.12461281433348179,"volume":128.39771002347882,"volume_molar":4.832681768894078,"formula_full":"Ga4 H4 O8","formula_reduced":"GaHO2","formula_anonymous":"ABC2","energy_above_hull":1.3266573312499998,"spacegroup":43},{"id":"jvasp-43151","created_at":"2022-09-04T14:36:47.556148Z","updated_at":"2022-09-04T14:36:47.556166Z","structure_string":"Li6 Si2 Ni2 O10\n1.0\n4.964600 0.022366 -0.006667\n1.528357 5.300212 0.000742\n1.734559 0.987828 6.104321\nLi Si Ni O\n6 2 2 10\ndirect\n0.486925 0.252855 0.004562 Li\n0.301921 0.448544 0.404114 Li\n0.294758 0.950561 0.405343 Li\n0.705243 0.049440 0.594656 Li\n0.698080 0.551457 0.595885 Li\n0.513076 0.747146 0.995437 Li\n0.901854 0.845313 0.219773 Si\n0.098147 0.154688 0.780226 Si\n0.099815 0.651577 0.793485 Ni\n0.900186 0.348424 0.206514 Ni\n0.358146 0.340251 0.719162 O\n0.639382 0.129633 0.279962 O\n0.641855 0.659749 0.280837 O\n0.157024 0.052823 0.093264 O\n0.996263 0.761115 0.467894 O\n0.161423 0.568492 0.112344 O\n0.838578 0.431509 0.887655 O\n0.003738 0.238886 0.532105 O\n0.842977 0.947178 0.906735 O\n0.360619 0.870368 0.720037 O\n","nsites":20,"nelements":4,"elements":["Li","Si","Ni","O"],"chemical_system":"Li-Ni-O-Si","density":3.8826672079078213,"density_atomic":0.12463808934027541,"volume":160.4645907672561,"volume_molar":4.831701762981064,"formula_full":"Li6 Si2 Ni2 O10","formula_reduced":"Li3SiNiO5","formula_anonymous":"ABC3D5","energy_above_hull":1.9799128500000005,"spacegroup":2},{"id":"jvasp-25290","created_at":"2022-09-04T14:37:51.628206Z","updated_at":"2022-09-04T14:37:51.628226Z","structure_string":"B12\n1.0\n6.375829 1.562720 7.431867\n-1.054257 1.414903 2.341497\n-4.229890 -3.668154 -1.522701\nB\n12\ndirect\n0.603371 0.034725 0.212157 B\n0.011481 0.860047 0.087263 B\n0.981803 0.309685 0.897493 B\n0.387106 0.128289 0.750396 B\n0.188852 0.576979 0.053840 B\n0.753891 0.408777 0.411895 B\n0.741346 0.038555 0.634499 B\n0.474947 0.336969 0.430871 B\n0.046711 0.099462 0.671598 B\n0.157261 0.860041 0.524465 B\n0.451229 0.925100 0.536106 B\n0.218010 0.398324 0.783283 B\n","nsites":12,"nelements":1,"elements":["B"],"chemical_system":"B","density":2.237991912956309,"density_atomic":0.12466471486654421,"volume":96.25819152473267,"volume_molar":4.83066982220816,"formula_full":"B12","formula_reduced":"B","formula_anonymous":"A","energy_above_hull":0.2726325833333334,"spacegroup":8},{"id":"jvasp-58348","created_at":"2022-09-04T14:37:41.134995Z","updated_at":"2022-09-04T14:37:41.135021Z","structure_string":"Si2 O4\n1.0\n4.218921 -0.000000 0.000000\n-0.000000 4.218921 0.000000\n0.000000 0.000000 2.702930\nSi O\n2 4\ndirect\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.694033 0.694033 0.000000 O\n0.194034 0.805966 0.500000 O\n0.305966 0.305966 0.000000 O\n0.805966 0.194034 0.500000 O\n","nsites":6,"nelements":2,"elements":["Si","O"],"chemical_system":"O-Si","density":4.147653941755634,"density_atomic":0.12471355680095991,"volume":48.110246824055125,"volume_molar":4.828777972880048,"formula_full":"Si2 O4","formula_reduced":"SiO2","formula_anonymous":"AB2","energy_above_hull":1.4218618666666671,"spacegroup":136},{"id":"jvasp-1360","created_at":"2022-09-04T14:38:11.065510Z","updated_at":"2022-09-04T14:38:11.065531Z","structure_string":"Li2 O1\n1.0\n2.870313 0.099003 1.499521\n0.951634 2.709777 1.499521\n0.134715 0.099003 3.235601\nLi O\n2 1\ndirect\n0.749991 0.749993 0.749995 Li\n0.250005 0.250006 0.250007 Li\n0.000000 0.000000 0.000000 O\n","nsites":3,"nelements":2,"elements":["Li","O"],"chemical_system":"Li-O","density":2.063244555692328,"density_atomic":0.1247446485871819,"volume":24.04912783014777,"volume_molar":4.827574431612774,"formula_full":"Li2 O1","formula_reduced":"Li2O","formula_anonymous":"AB2","energy_above_hull":0.4413078333333335,"spacegroup":225},{"id":"jvasp-112020","created_at":"2022-09-04T14:38:41.826504Z","updated_at":"2022-09-04T14:38:41.826529Z","structure_string":"H1 C1 N1 O1\n1.0\n3.295876 0.000000 -0.877171\n0.000000 2.410179 0.000000\n-0.155816 0.000000 4.076745\nH C N O\n1 1 1 1\ndirect\n0.195733 0.000000 0.166954 H\n0.579067 0.500000 0.564964 C\n0.421213 0.000000 0.400488 N\n0.848047 0.500000 0.841633 O\n","nsites":4,"nelements":4,"elements":["H","C","N","O"],"chemical_system":"C-H-N-O","density":2.228814707602726,"density_atomic":0.1247862127862276,"volume":32.05482329087458,"volume_molar":4.825966447364329,"formula_full":"H1 C1 N1 O1","formula_reduced":"HCNO","formula_anonymous":"ABCD","energy_above_hull":3.8955966875,"spacegroup":6},{"id":"jvasp-36150","created_at":"2022-09-04T14:37:17.550276Z","updated_at":"2022-09-04T14:37:17.550298Z","structure_string":"Fe2 B2\n1.0\n-2.898806 0.000000 0.000000\n0.000000 0.000000 -2.955395\n-1.449403 -3.741262 0.000000\nFe B\n2 2\ndirect\n0.142228 0.750001 0.715543 Fe\n0.857773 0.250000 0.284456 Fe\n0.430391 0.750001 0.139218 B\n0.569610 0.250000 0.860781 B\n","nsites":4,"nelements":2,"elements":["Fe","B"],"chemical_system":"B-Fe","density":6.906619536279633,"density_atomic":0.1247978727724898,"volume":32.05182837765286,"volume_molar":4.8255155526397,"formula_full":"Fe2 B2","formula_reduced":"FeB","formula_anonymous":"AB","energy_above_hull":2.4606890416666665,"spacegroup":63},{"id":"jvasp-103975","created_at":"2022-09-04T14:36:40.928176Z","updated_at":"2022-09-04T14:36:40.928199Z","structure_string":"Cd1 H12 C8 O4\n1.0\n4.018815 -0.061494 -0.397828\n-0.995008 4.142255 -0.038612\n-0.158509 0.002617 12.091583\nCd H C O\n1 12 8 4\ndirect\n0.243137 0.742256 0.184350 Cd\n0.669347 0.795640 0.575292 H\n0.281992 0.911884 0.944440 H\n0.710657 0.027710 0.909859 H\n0.998744 0.871073 0.754949 H\n0.401613 0.935655 0.705079 H\n0.896821 0.362853 0.651712 H\n0.034406 0.824014 0.506463 H\n0.172492 0.418843 0.850499 H\n0.582604 0.488590 0.803878 H\n0.442026 0.928780 0.408723 H\n0.621566 0.331479 0.461684 H\n0.279559 0.392020 0.591187 H\n0.598375 0.339663 0.030979 C\n0.489988 0.119305 0.927826 C\n0.366326 0.297012 0.826922 C\n0.210223 0.061667 0.727985 C\n0.868693 0.968314 0.536045 C\n0.682837 0.107424 0.436091 C\n0.887424 0.175551 0.337568 C\n0.069250 0.219325 0.625761 C\n0.418698 0.282696 0.113643 O\n0.121636 0.434881 0.338123 O\n0.817782 0.956874 0.257572 O\n0.856999 0.580428 0.030151 O\n","nsites":25,"nelements":4,"elements":["Cd","H","C","O"],"chemical_system":"C-Cd-H-O","density":2.359461338951825,"density_atomic":0.12482021740452501,"volume":200.2880664674575,"volume_molar":4.82465171526106,"formula_full":"Cd1 H12 C8 O4","formula_reduced":"CdH12(C2O)4","formula_anonymous":"AB4C8D12","energy_above_hull":4.42217255,"spacegroup":1},{"id":"jvasp-19879","created_at":"2022-09-04T14:36:57.009850Z","updated_at":"2022-09-04T14:36:57.009872Z","structure_string":"Cr3 B4\n1.0\n2.870237 -0.000000 -0.634533\n-0.141385 2.857838 -0.639539\n0.004679 0.024691 6.830028\nCr B\n3 4\ndirect\n0.186200 0.186157 0.372401 Cr\n0.813800 0.813844 0.627600 Cr\n0.500001 -0.000000 0.000000 Cr\n0.933573 0.433566 0.867143 B\n0.066427 0.566435 0.132857 B\n0.360427 0.360458 0.720855 B\n0.639573 0.639543 0.279145 B\n","nsites":7,"nelements":2,"elements":["Cr","B"],"chemical_system":"B-Cr","density":5.899251708917335,"density_atomic":0.12482055835039532,"volume":56.08050542723622,"volume_molar":4.824638536782293,"formula_full":"Cr3 B4","formula_reduced":"Cr3B4","formula_anonymous":"A3B4","energy_above_hull":5.200067504761905,"spacegroup":71},{"id":"jvasp-63518","created_at":"2022-09-04T14:36:09.843142Z","updated_at":"2022-09-04T14:36:09.843164Z","structure_string":"Dy2 Al2 B28\n1.0\n-2.952564 4.129443 5.256441\n2.952564 -4.129443 5.256441\n2.952564 4.129443 -5.256441\nDy Al B\n2 2 28\ndirect\n0.101358 0.749999 0.351358 Dy\n0.898641 0.250000 0.648641 Dy\n0.500000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.867832 0.832767 0.035066 B\n0.127907 0.327469 0.296146 B\n0.468677 0.172530 0.800436 B\n0.531323 0.331759 0.703853 B\n0.872093 0.168241 0.199563 B\n0.872093 0.672530 0.703853 B\n0.531323 0.827469 0.199563 B\n0.468677 0.668240 0.296146 B\n0.127907 0.831758 0.800436 B\n0.722962 0.724615 0.325427 B\n0.100812 0.775384 0.998346 B\n0.899188 0.897535 0.674572 B\n0.277038 0.602465 0.001653 B\n0.277037 0.275384 0.674572 B\n0.899188 0.224616 0.001653 B\n0.722962 0.397535 0.998346 B\n0.744678 0.910298 0.834380 B\n0.424082 0.589701 0.834380 B\n0.575918 0.410298 0.165619 B\n0.255321 0.089702 0.165619 B\n0.486447 0.858613 0.627831 B\n0.269218 0.641385 0.627831 B\n0.730782 0.358614 0.372168 B\n0.513553 0.141386 0.372168 B\n0.297701 0.332766 0.964933 B\n0.132168 0.167233 0.964933 B\n0.702299 0.667233 0.035066 B\n0.100812 0.102465 0.325427 B\n","nsites":32,"nelements":3,"elements":["Dy","Al","B"],"chemical_system":"Al-B-Dy","density":4.415515195120492,"density_atomic":0.1248266734218951,"volume":256.3554657252211,"volume_molar":4.82440218497699,"formula_full":"Dy2 Al2 B28","formula_reduced":"DyAlB14","formula_anonymous":"ABC14","energy_above_hull":5.119743466666667,"spacegroup":74},{"id":"jvasp-36312","created_at":"2022-09-04T14:37:14.527301Z","updated_at":"2022-09-04T14:37:14.527314Z","structure_string":"Mn1 N1\n1.0\n2.520909 0.000000 -0.000000\n0.000000 2.520909 0.000000\n-0.000000 -0.000000 2.520909\nMn N\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 N\n","nsites":2,"nelements":2,"elements":["Mn","N"],"chemical_system":"Mn-N","density":7.146259142606993,"density_atomic":0.12484135949473298,"volume":16.02033178823545,"volume_molar":4.8238346525328195,"formula_full":"Mn1 N1","formula_reduced":"MnN","formula_anonymous":"AB","energy_above_hull":3.2871052456896543,"spacegroup":221}]}