HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1078",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1076",
"results": [
{
"id": "jvasp-12303",
"created_at": "2022-09-04T14:38:14.634066Z",
"updated_at": "2022-09-04T14:38:14.634093Z",
"structure_string": "Rb1 Ca2 Nb3 O10\n1.0\n3.956432 -0.000000 0.000000\n-0.000000 3.956432 -0.000000\n-0.000000 0.000000 15.162358\nRb Ca Nb O\n1 2 3 10\ndirect\n0.500000 0.500000 0.500000 Rb\n0.500000 0.500000 0.849829 Ca\n0.500000 0.500000 0.150171 Ca\n0.000000 0.000000 0.000000 Nb\n0.000000 0.000000 0.282734 Nb\n0.000000 0.000000 0.717266 Nb\n0.000000 0.000000 0.598143 O\n0.000000 0.000000 0.401858 O\n0.500000 0.000000 0.746338 O\n0.000000 0.500000 0.746338 O\n0.500000 0.000000 0.253662 O\n0.000000 0.500000 0.253662 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.130420 O\n0.000000 0.000000 0.869580 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Rb",
"Ca",
"Nb",
"O"
],
"chemical_system": "Ca-Nb-O-Rb",
"density": 4.228185966741769,
"density_atomic": 0.06741333683153636,
"volume": 237.34175983579416,
"volume_molar": 8.933159287232918,
"formula_full": "Rb1 Ca2 Nb3 O10",
"formula_reduced": "RbCa2Nb3O10",
"formula_anonymous": "AB2C3D10",
"energy_above_hull": 2.8437615025,
"spacegroup": 123
},
{
"id": "jvasp-91670",
"created_at": "2022-09-04T14:36:10.189939Z",
"updated_at": "2022-09-04T14:36:10.189961Z",
"structure_string": "Pb4 Se4\n1.0\n0.000000 4.377591 0.000000\n0.000000 -0.000000 4.377843\n12.384059 0.000000 0.000000\nPb Se\n4 4\ndirect\n0.250000 0.249647 0.625012 Pb\n0.250000 0.250352 0.125012 Pb\n0.750000 0.750352 0.374988 Pb\n0.750000 0.749647 0.874988 Pb\n0.250000 0.249759 0.875019 Se\n0.250000 0.250241 0.375019 Se\n0.750000 0.750240 0.124981 Se\n0.750000 0.749759 0.624981 Se\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pb",
"Se"
],
"chemical_system": "Pb-Se",
"density": 8.008655971442222,
"density_atomic": 0.03370789318919947,
"volume": 237.33313604314267,
"volume_molar": 17.865669403300434,
"formula_full": "Pb4 Se4",
"formula_reduced": "PbSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.2478770933333333,
"spacegroup": 225
},
{
"id": "jvasp-10315",
"created_at": "2022-09-04T14:37:13.446463Z",
"updated_at": "2022-09-04T14:37:13.446498Z",
"structure_string": "Ti2 Ge4 O12\n1.0\n5.438693 0.059982 1.284793\n1.503234 6.527871 0.765067\n0.163663 0.002784 6.740278\nTi Ge O\n2 4 12\ndirect\n0.749999 0.898650 0.101350 Ti\n0.249999 0.101349 0.898650 Ti\n0.753413 0.380645 0.207601 Ge\n0.746585 0.792399 0.619355 Ge\n0.246585 0.619354 0.792400 Ge\n0.253413 0.207600 0.380645 Ge\n0.626672 0.962901 0.825076 O\n0.873326 0.174925 0.037099 O\n0.746536 0.628949 0.086552 O\n0.753462 0.913447 0.371052 O\n0.253463 0.371051 0.913448 O\n0.565604 0.605120 0.663771 O\n-0.065605 0.336229 0.394880 O\n0.126672 0.825074 0.962902 O\n0.065604 0.663770 0.605121 O\n0.434394 0.394880 0.336230 O\n0.246536 0.086552 0.628949 O\n0.373326 0.037098 0.174925 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ti",
"Ge",
"O"
],
"chemical_system": "Ge-O-Ti",
"density": 4.046272519127798,
"density_atomic": 0.07584644990940607,
"volume": 237.32158883507262,
"volume_molar": 7.939911185286953,
"formula_full": "Ti2 Ge4 O12",
"formula_reduced": "Ti(GeO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.3720945814814813,
"spacegroup": 15
},
{
"id": "jvasp-105314",
"created_at": "2022-09-04T14:36:59.045501Z",
"updated_at": "2022-09-04T14:36:59.045531Z",
"structure_string": "Tm6 Fe1 Bi2\n1.0\n8.178200 0.000000 0.000000\n-4.089100 7.082529 0.000000\n0.000000 -0.000000 4.096625\nTm Fe Bi\n6 1 2\ndirect\n0.229154 -0.000000 0.499999 Tm\n0.000000 0.229154 0.499999 Tm\n0.770846 0.770846 0.499999 Tm\n0.614889 -0.000000 -0.000000 Tm\n0.000000 0.614889 -0.000000 Tm\n0.385111 0.385111 -0.000000 Tm\n0.000000 0.000000 0.000000 Fe\n0.333333 0.666667 0.499999 Bi\n0.666667 0.333333 0.499999 Bi\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Tm",
"Fe",
"Bi"
],
"chemical_system": "Bi-Fe-Tm",
"density": 10.408971138677645,
"density_atomic": 0.03792889670122592,
"volume": 237.28610064497622,
"volume_molar": 15.877447760839706,
"formula_full": "Tm6 Fe1 Bi2",
"formula_reduced": "Tm6FeBi2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.7023621777777782,
"spacegroup": 189
},
{
"id": "jvasp-119714",
"created_at": "2022-09-04T14:38:52.265074Z",
"updated_at": "2022-09-04T14:38:52.265103Z",
"structure_string": "Er2 Mo2 Cl2 O8\n1.0\n6.039721 0.016186 1.521731\n1.752282 5.779965 1.521731\n0.006226 0.004631 6.805161\nEr Mo Cl O\n2 2 2 8\ndirect\n0.778350 0.778350 0.108869 Er\n0.221650 0.221649 0.891130 Er\n0.362579 0.362579 0.269733 Mo\n0.637421 0.637421 0.730267 Mo\n0.990983 0.990983 0.762185 Cl\n0.009017 0.009017 0.237815 Cl\n0.490864 0.107802 0.154176 O\n0.509136 0.892197 0.845823 O\n0.892198 0.509136 0.845823 O\n0.456353 0.456352 0.800219 O\n0.705212 0.705212 0.462170 O\n0.107802 0.490864 0.154177 O\n0.294788 0.294788 0.537830 O\n0.543648 0.543647 0.199781 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Er",
"Mo",
"Cl",
"O"
],
"chemical_system": "Cl-Er-Mo-O",
"density": 5.07567742689766,
"density_atomic": 0.059000508340245804,
"volume": 237.2860911513576,
"volume_molar": 10.206930295026185,
"formula_full": "Er2 Mo2 Cl2 O8",
"formula_reduced": "ErMoClO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.400416281071429,
"spacegroup": 12
},
{
"id": "jvasp-4095",
"created_at": "2022-09-04T14:36:51.618493Z",
"updated_at": "2022-09-04T14:36:51.618511Z",
"structure_string": "K4 Be1 As2\n1.0\n5.386027 0.011191 7.457973\n2.419574 4.811973 7.457973\n0.018111 0.011191 9.199474\nK Be As\n4 1 2\ndirect\n0.624215 0.624214 0.624215 K\n0.375785 0.375785 0.375785 K\n0.208630 0.208629 0.208630 K\n0.791371 0.791369 0.791370 K\n0.000000 0.000000 0.000000 Be\n0.919441 0.919440 0.919441 As\n0.080559 0.080559 0.080559 As\n",
"nsites": 7,
"nelements": 3,
"elements": [
"K",
"Be",
"As"
],
"chemical_system": "As-Be-K",
"density": 2.2061671923687105,
"density_atomic": 0.029500829171027886,
"volume": 237.28146620619552,
"volume_molar": 20.413462703327035,
"formula_full": "K4 Be1 As2",
"formula_reduced": "K4BeAs2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.3786573714285716,
"spacegroup": 166
},
{
"id": "jvasp-54828",
"created_at": "2022-09-04T14:37:31.217496Z",
"updated_at": "2022-09-04T14:37:31.217513Z",
"structure_string": "Li4 Ca4 Ga4 N8\n1.0\n0.000000 5.794493 -0.005911\n6.931587 0.000000 0.000000\n0.000000 -0.001405 -5.907588\nLi Ca Ga N\n4 4 4 8\ndirect\n0.632941 0.105177 0.588925 Li\n0.367058 0.894823 0.411075 Li\n0.632942 0.394823 0.088925 Li\n0.367057 0.605177 0.911075 Li\n0.021610 0.626998 0.243159 Ca\n0.978389 0.373003 0.756841 Ca\n0.021609 0.873003 0.743159 Ca\n0.978390 0.126998 0.256841 Ca\n0.623940 0.859534 0.080070 Ga\n0.623939 0.640466 0.580070 Ga\n0.376059 0.140466 0.919930 Ga\n0.376059 0.359534 0.419930 Ga\n0.259954 0.135627 0.595658 N\n0.740044 0.635627 0.904342 N\n0.722842 0.111994 0.928265 N\n0.740045 0.864374 0.404342 N\n0.722842 0.388006 0.428265 N\n0.277157 0.888006 0.071735 N\n0.277157 0.611994 0.571735 N\n0.259954 0.364374 0.095658 N\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Ca",
"Ga",
"N"
],
"chemical_system": "Ca-Ga-Li-N",
"density": 4.052149281660943,
"density_atomic": 0.08428912967367055,
"volume": 237.27852069929978,
"volume_molar": 7.144623254878784,
"formula_full": "Li4 Ca4 Ga4 N8",
"formula_reduced": "LiCaGaN2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.982451849,
"spacegroup": 14
},
{
"id": "jvasp-97506",
"created_at": "2022-09-04T14:35:56.655304Z",
"updated_at": "2022-09-04T14:35:56.655321Z",
"structure_string": "Ba2 H8 O12\n1.0\n3.822994 4.784301 -0.446448\n-3.822994 4.784301 0.446448\n-0.029141 0.000000 6.489607\nBa H O\n2 8 12\ndirect\n0.810674 0.810674 0.750000 Ba\n0.172421 0.172421 0.250000 Ba\n0.405640 0.434562 -0.049734 H\n0.349090 0.664592 0.042500 H\n0.434562 0.405640 0.549734 H\n0.664592 0.349090 0.457500 H\n0.023890 0.328484 0.694245 H\n0.328484 0.023890 0.805756 H\n0.952326 0.664013 0.292067 H\n0.664013 0.952326 0.207933 H\n0.431583 0.079574 0.911117 O\n0.079574 0.431583 0.588884 O\n0.389868 0.778502 0.560366 O\n0.778502 0.389868 0.939635 O\n0.534175 0.284033 0.490371 O\n0.974034 0.806933 0.202830 O\n0.212398 0.912094 0.635928 O\n0.912094 0.212398 0.864073 O\n0.806933 0.974033 0.297170 O\n0.881007 0.494947 0.430072 O\n0.284033 0.534175 0.009629 O\n0.494947 0.881007 0.069928 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ba",
"H",
"O"
],
"chemical_system": "Ba-H-O",
"density": 3.3222710737677925,
"density_atomic": 0.09272139885908548,
"volume": 237.26993197584065,
"volume_molar": 6.494876947609715,
"formula_full": "Ba2 H8 O12",
"formula_reduced": "Ba(H2O3)2",
"formula_anonymous": "AB4C6",
"energy_above_hull": 2.6016006336363637,
"spacegroup": 5
},
{
"id": "jvasp-103982",
"created_at": "2022-09-04T14:36:44.183138Z",
"updated_at": "2022-09-04T14:36:44.183174Z",
"structure_string": "Cd1 H16 C10 O4\n1.0\n3.667005 0.045830 -0.242187\n-0.075379 4.249877 -0.100993\n-0.176729 -0.080424 15.235051\nCd H C O\n1 16 10 4\ndirect\n0.543400 0.668621 0.165894 Cd\n0.618081 0.908552 0.525852 H\n0.252097 0.409141 0.947053 H\n0.815881 0.567521 0.940698 H\n0.000960 0.440992 0.766327 H\n0.549653 0.483887 0.794159 H\n0.729204 0.430569 0.603047 H\n0.281036 0.434777 0.634970 H\n0.452250 0.401300 0.440156 H\n0.001034 0.362961 0.470216 H\n0.052328 0.946851 0.856619 H\n0.597640 0.996197 0.881864 H\n0.843304 0.928742 0.687645 H\n0.397852 0.948959 0.721032 H\n0.417728 0.862477 0.368206 H\n0.977998 0.812224 0.399779 H\n0.173848 0.897204 0.559771 H\n0.883489 0.233753 0.036215 C\n0.963170 0.342490 0.945500 C\n0.843189 0.125853 0.866760 C\n0.759081 0.306435 0.782091 C\n0.626782 0.095464 0.702913 C\n0.248465 0.229790 0.457957 C\n0.387237 0.059810 0.541236 C\n0.170901 0.994075 0.381414 C\n0.001122 0.107447 0.294204 C\n0.505948 0.276210 0.620290 C\n0.014611 0.414568 0.101934 O\n0.063195 0.928870 0.225778 O\n0.784243 0.336262 0.290557 O\n0.667995 0.007393 0.044516 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.1880525838315386,
"density_atomic": 0.13065382901536843,
"volume": 237.26820892752832,
"volume_molar": 4.609234038821498,
"formula_full": "Cd1 H16 C10 O4",
"formula_reduced": "CdH16(C5O2)2",
"formula_anonymous": "AB4C10D16",
"energy_above_hull": 4.526114637096774,
"spacegroup": 1
},
{
"id": "jvasp-105691",
"created_at": "2022-09-04T14:36:10.335841Z",
"updated_at": "2022-09-04T14:36:10.335865Z",
"structure_string": "K2 Rb1 Pr1 F6\n1.0\n6.017918 -0.000000 3.474446\n2.005973 5.673747 3.474446\n0.000000 0.000000 6.948893\nK Rb Pr F\n2 1 1 6\ndirect\n0.750000 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 Pr\n0.766962 0.233038 0.233039 F\n0.233038 0.233038 0.766962 F\n0.233038 0.766962 0.766962 F\n0.233038 0.766962 0.233039 F\n0.766962 0.233038 0.766962 F\n0.766962 0.766962 0.233039 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Pr",
"F"
],
"chemical_system": "F-K-Pr-Rb",
"density": 2.9293922314550422,
"density_atomic": 0.0421471432899536,
"volume": 237.26400461365668,
"volume_molar": 14.2883723306473,
"formula_full": "K2 Rb1 Pr1 F6",
"formula_reduced": "K2RbPrF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-87118",
"created_at": "2022-09-04T14:35:50.580047Z",
"updated_at": "2022-09-04T14:35:50.580076Z",
"structure_string": "Ca4 Si4 Pd4\n1.0\n5.745144 0.000000 0.000000\n0.000000 5.548858 -1.964072\n0.000000 0.044252 7.426838\nCa Si Pd\n4 4 4\ndirect\n0.127715 0.321323 0.116096 Ca\n0.372285 0.821323 0.616096 Ca\n0.872284 0.678677 0.883904 Ca\n0.627715 0.178677 0.383904 Ca\n0.620365 0.170821 0.957301 Si\n0.379634 0.829179 0.042700 Si\n0.120365 0.329179 0.542700 Si\n0.879634 0.670821 0.457301 Si\n0.611057 0.577798 0.191194 Pd\n0.388942 0.422202 0.808807 Pd\n0.888942 0.077797 0.691194 Pd\n0.111057 0.922203 0.308807 Pd\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Si",
"Pd"
],
"chemical_system": "Ca-Pd-Si",
"density": 4.887523163435075,
"density_atomic": 0.05057755022921074,
"volume": 237.2594154050086,
"volume_molar": 11.906746635035617,
"formula_full": "Ca4 Si4 Pd4",
"formula_reduced": "CaSiPd",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0227082399999998,
"spacegroup": 14
},
{
"id": "jvasp-107180",
"created_at": "2022-09-04T14:36:46.409483Z",
"updated_at": "2022-09-04T14:36:46.409499Z",
"structure_string": "K3 Na1\n1.0\n6.017793 -0.000000 3.474374\n2.005931 5.673630 3.474374\n-0.000000 -0.000000 6.948749\nK Na\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.749999 0.750000 0.749999 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Na\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Na"
],
"chemical_system": "K-Na",
"density": 0.9818709939326308,
"density_atomic": 0.016859904552691696,
"volume": 237.2492671888464,
"volume_molar": 35.71871205545206,
"formula_full": "K3 Na1",
"formula_reduced": "K3Na",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0002099999999999,
"spacegroup": 225
}
]
}