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=-density&page=4533",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4531",
"results": [
{
"id": "jvasp-104164",
"created_at": "2022-09-04T14:36:58.407127Z",
"updated_at": "2022-09-04T14:36:58.407154Z",
"structure_string": "H5 C6 S1 N1 O1\n1.0\n3.952645 -0.061503 -0.113383\n-2.398073 5.413692 -1.017654\n-0.086849 -0.004689 6.516146\nH C S N O\n5 6 1 1 1\ndirect\n0.863478 0.158449 0.026278 H\n0.469443 0.370324 0.814763 H\n0.136795 0.360977 0.453107 H\n0.515764 0.180471 0.180653 H\n0.227743 0.707873 0.911749 H\n0.288362 0.202096 0.703735 C\n0.106323 0.195409 0.512209 C\n0.881033 0.956148 0.400901 C\n0.201820 0.962362 0.741814 C\n0.597326 0.047782 0.081484 C\n0.644523 0.864915 0.208182 C\n0.898391 0.732467 0.537538 S\n0.312361 0.892979 0.908478 N\n0.464775 0.634599 0.138151 O\n",
"nsites": 14,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.6698958076222639,
"density_atomic": 0.10115959515799951,
"volume": 138.3951762374457,
"volume_molar": 5.953108798620751,
"formula_full": "H5 C6 S1 N1 O1",
"formula_reduced": "H5C6SNO",
"formula_anonymous": "ABCD5E6",
"energy_above_hull": 5.159390482142857,
"spacegroup": 1
},
{
"id": "jvasp-69523",
"created_at": "2022-09-04T14:36:06.277898Z",
"updated_at": "2022-09-04T14:36:06.277918Z",
"structure_string": "Na1 Mg1 Be2\n1.0\n2.894505 0.000000 -0.000000\n0.000000 2.894505 0.000000\n0.000000 0.000000 7.756203\nNa Mg Be\n1 1 2\ndirect\n0.499999 0.499999 0.794239 Na\n0.000000 0.000000 0.433616 Mg\n0.000000 0.000000 0.085573 Be\n0.499999 0.499999 0.186572 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Be"
],
"chemical_system": "Be-Mg-Na",
"density": 1.6691360438148513,
"density_atomic": 0.06155484129789568,
"volume": 64.9827034829305,
"volume_molar": 9.783374683488741,
"formula_full": "Na1 Mg1 Be2",
"formula_reduced": "NaMgBe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6478871625,
"spacegroup": 99
},
{
"id": "jvasp-115698",
"created_at": "2022-09-04T14:38:45.680187Z",
"updated_at": "2022-09-04T14:38:45.680222Z",
"structure_string": "Li1 Mg1 Br1\n1.0\n3.817222 0.000000 0.000000\n0.000000 3.817222 0.000000\n0.000000 0.000000 7.589134\nLi Mg Br\n1 1 1\ndirect\n0.000000 0.000000 0.634785 Li\n0.000000 0.000000 -0.002897 Mg\n0.000000 0.000000 0.329714 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Br"
],
"chemical_system": "Br-Li-Mg",
"density": 1.6690583009154587,
"density_atomic": 0.027129025717227657,
"volume": 110.5826663762171,
"volume_molar": 22.198146084456617,
"formula_full": "Li1 Mg1 Br1",
"formula_reduced": "LiMgBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0849333333333333,
"spacegroup": 99
},
{
"id": "jvasp-69796",
"created_at": "2022-09-04T14:36:15.732537Z",
"updated_at": "2022-09-04T14:36:15.732547Z",
"structure_string": "Na1 Mg1 Be2\n1.0\n2.893916 0.000000 0.000000\n0.000000 2.893916 0.000000\n0.000000 0.000000 7.760551\nNa Mg Be\n1 1 2\ndirect\n0.500001 0.500001 0.794259 Na\n0.000000 0.000000 0.433610 Mg\n0.000000 0.000000 0.085469 Be\n0.500001 0.500001 0.186663 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Be"
],
"chemical_system": "Be-Mg-Na",
"density": 1.6688800062299232,
"density_atomic": 0.06154539907599595,
"volume": 64.99267305198265,
"volume_molar": 9.784875637192457,
"formula_full": "Na1 Mg1 Be2",
"formula_reduced": "NaMgBe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6479096624999999,
"spacegroup": 99
},
{
"id": "jvasp-4388",
"created_at": "2022-09-04T14:37:14.057868Z",
"updated_at": "2022-09-04T14:37:14.057884Z",
"structure_string": "C2 S4\n1.0\n4.093651 0.000234 0.000000\n-0.562289 4.054850 0.000000\n0.000000 0.000000 9.131795\nC S\n2 4\ndirect\n0.000000 0.000000 0.000000 C\n0.500000 0.499999 0.500000 C\n0.200732 0.200732 0.122300 S\n0.299268 0.299268 0.622299 S\n0.700732 0.700731 0.377700 S\n0.799268 0.799267 0.877700 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"C",
"S"
],
"chemical_system": "C-S",
"density": 1.6682101324832386,
"density_atomic": 0.039582757599591525,
"volume": 151.5811520939086,
"volume_molar": 15.21405057454144,
"formula_full": "C2 S4",
"formula_reduced": "CS2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.990743333333333,
"spacegroup": 64
},
{
"id": "jvasp-112237",
"created_at": "2022-09-04T14:38:47.253003Z",
"updated_at": "2022-09-04T14:38:47.253028Z",
"structure_string": "H16 C28 O8\n1.0\n5.955765 0.000000 -0.778157\n0.000000 5.297256 0.000000\n0.403311 0.000000 15.108682\nH C O\n16 28 8\ndirect\n0.462739 0.166035 0.765554 H\n0.479970 0.798261 0.436440 H\n0.520031 0.298260 0.063560 H\n0.479970 0.701741 0.936440 H\n0.165538 0.008320 0.248734 H\n0.834462 0.991681 0.751265 H\n0.834462 0.508320 0.251265 H\n0.165538 0.491681 0.748734 H\n0.520031 0.201740 0.563560 H\n0.130896 0.003354 0.645892 H\n0.130896 0.496647 0.145892 H\n0.869105 0.503354 0.854108 H\n0.462739 0.333965 0.265554 H\n0.537261 0.666036 0.734446 H\n0.537261 0.833966 0.234446 H\n0.869105 -0.003354 0.354108 H\n0.001242 0.181302 0.927981 C\n0.998758 0.818698 0.072019 C\n0.998758 0.681303 0.572019 C\n0.001242 0.318698 0.427981 C\n0.169023 0.992843 0.938342 C\n0.830978 0.007157 0.061657 C\n0.826454 0.191211 0.989764 C\n0.169023 0.507158 0.438343 C\n0.173547 0.808790 0.010235 C\n0.173547 0.691211 0.510235 C\n0.826454 0.308790 0.489764 C\n-0.000248 0.139839 0.360303 C\n0.830977 0.492843 0.561657 C\n0.000248 0.860162 0.639696 C\n0.833320 0.646710 0.197870 C\n-0.000248 0.360162 0.860303 C\n0.337022 0.989643 0.878914 C\n0.662979 0.010358 0.121086 C\n0.000248 0.639839 0.139696 C\n0.337022 0.510359 0.378914 C\n0.333780 0.171339 0.811109 C\n0.666220 0.828662 0.188890 C\n0.662979 0.489642 0.621086 C\n0.333780 0.328661 0.311110 C\n0.166681 0.353291 0.802129 C\n0.833319 0.853292 0.697870 C\n0.166681 0.146709 0.302129 C\n0.666220 0.671340 0.688890 C\n0.496385 0.317756 0.614797 O\n0.676108 0.356730 0.980382 O\n0.323893 0.643271 0.019618 O\n0.323893 0.856731 0.519618 O\n0.676108 0.143270 0.480382 O\n0.503616 0.817756 0.885203 O\n0.496385 0.182245 0.114797 O\n0.503616 0.682245 0.385203 O\n",
"nsites": 52,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.66780271621429,
"density_atomic": 0.10871167336231675,
"volume": 478.32949665573824,
"volume_molar": 5.539552997155394,
"formula_full": "H16 C28 O8",
"formula_reduced": "H4C7O2",
"formula_anonymous": "A2B4C7",
"energy_above_hull": 5.398942076923077,
"spacegroup": 14
},
{
"id": "jvasp-103825",
"created_at": "2022-09-04T14:36:58.616752Z",
"updated_at": "2022-09-04T14:36:58.616775Z",
"structure_string": "H4 C9 S1 O2\n1.0\n4.181660 -0.006909 -0.920637\n-1.791710 5.590003 0.043901\n-0.147304 0.032955 7.542342\nH C S O\n4 9 1 2\ndirect\n0.556412 0.859814 0.757585 H\n0.694151 0.126355 0.430093 H\n0.077575 0.098211 0.726831 H\n0.146946 0.891816 0.467960 H\n0.578824 0.485397 0.938888 C\n0.653837 0.556348 0.269238 C\n0.092994 0.271441 0.669665 C\n0.875447 0.287909 0.503809 C\n0.337145 0.477878 0.761143 C\n0.887015 0.513588 0.435060 C\n0.363275 0.701527 0.685439 C\n0.135088 0.719769 0.526676 C\n0.473340 0.378764 0.107527 C\n0.196677 0.122475 0.116359 S\n0.594359 0.750183 0.250446 O\n0.881288 0.596294 0.960568 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.6670580830963642,
"density_atomic": 0.09116660381446848,
"volume": 175.5028632256754,
"volume_molar": 6.605643413300281,
"formula_full": "H4 C9 S1 O2",
"formula_reduced": "H4C9SO2",
"formula_anonymous": "AB2C4D9",
"energy_above_hull": 5.5578554375,
"spacegroup": 1
},
{
"id": "jvasp-101801",
"created_at": "2022-09-04T14:36:43.872215Z",
"updated_at": "2022-09-04T14:36:43.872240Z",
"structure_string": "H5 C6 S2 N1\n1.0\n5.387431 -0.348907 0.652450\n1.770590 4.729816 2.465263\n0.086144 0.156284 6.014441\nH C S N\n5 6 2 1\ndirect\n0.142787 0.778258 0.146719 H\n0.887286 0.248527 0.800006 H\n0.230881 0.243075 0.449867 H\n0.392803 0.670450 0.360239 H\n0.550921 0.690211 0.977638 H\n0.897637 0.137310 0.690313 C\n0.082073 0.134853 0.500027 C\n0.062207 0.972400 0.392057 C\n0.739591 0.972489 0.728606 C\n0.390599 0.042624 0.023392 C\n0.244678 0.858977 0.232440 C\n0.808908 0.827336 0.521155 S\n0.342766 0.381927 0.928806 S\n0.559099 0.891855 0.916644 N\n",
"nsites": 14,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"N"
],
"chemical_system": "C-H-N-S",
"density": 1.6659347182725024,
"density_atomic": 0.09047562766070832,
"volume": 154.73780466603944,
"volume_molar": 6.656091718516245,
"formula_full": "H5 C6 S2 N1",
"formula_reduced": "H5C6S2N",
"formula_anonymous": "AB2C5D6",
"energy_above_hull": 5.126444517857143,
"spacegroup": 1
},
{
"id": "jvasp-30497",
"created_at": "2022-09-04T14:38:02.456228Z",
"updated_at": "2022-09-04T14:38:02.456260Z",
"structure_string": "B4 C6 N12\n1.0\n-7.188537 4.764770 -0.037826\n-0.532143 8.607839 -0.037826\n-2.596830 4.497842 -4.787269\nB C N\n4 6 12\ndirect\n0.419689 0.346522 0.820037 B\n0.153507 0.080309 0.679912 B\n0.580309 0.653507 0.179912 B\n0.846522 0.919689 0.320037 B\n0.791563 0.708463 0.249964 C\n0.208464 0.291563 0.749963 C\n0.811472 0.163384 0.689504 C\n0.336638 0.688535 0.810450 C\n0.663384 0.311472 0.189504 C\n0.188535 0.836638 0.310450 C\n0.750360 0.644447 0.181847 N\n0.371665 0.807474 0.248127 N\n0.855608 0.749637 0.318082 N\n0.001384 0.882494 0.376638 N\n0.617511 0.498616 0.123355 N\n0.998616 0.117511 0.623355 N\n0.249637 0.355608 0.818081 N\n0.628345 0.192567 0.751793 N\n0.692568 0.128344 0.251793 N\n0.307474 0.871665 0.748127 N\n0.144447 0.250360 0.681847 N\n0.382494 0.501384 0.876639 N\n",
"nsites": 22,
"nelements": 3,
"elements": [
"B",
"C",
"N"
],
"chemical_system": "B-C-N",
"density": 1.6653069789480905,
"density_atomic": 0.07785482085893092,
"volume": 282.5772348749336,
"volume_molar": 7.7350903817655965,
"formula_full": "B4 C6 N12",
"formula_reduced": "B2(CN2)3",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 6.363386787878788,
"spacegroup": 15
},
{
"id": "jvasp-54719",
"created_at": "2022-09-04T14:36:56.800535Z",
"updated_at": "2022-09-04T14:36:56.800558Z",
"structure_string": "H4 N2 O3\n1.0\n4.503065 -0.147561 -0.147561\n-0.082744 4.215225 0.138464\n-0.082744 0.138464 4.215225\nH N O\n4 2 3\ndirect\n0.000001 0.238662 0.761336 H\n0.000001 0.704594 0.295404 H\n0.379278 0.337936 0.081889 H\n0.620725 0.918109 0.662062 H\n0.000001 0.054384 0.945614 N\n0.500001 0.589914 0.410085 N\n0.000001 0.533292 0.466706 O\n0.464066 0.559989 0.097594 O\n0.535937 0.902404 0.440009 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"H",
"N",
"O"
],
"chemical_system": "H-N-O",
"density": 1.6650789286948258,
"density_atomic": 0.11274646291357496,
"volume": 79.82512060621262,
"volume_molar": 5.341312360828766,
"formula_full": "H4 N2 O3",
"formula_reduced": "H4N2O3",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 3.682446333333333,
"spacegroup": 5
},
{
"id": "jvasp-114476",
"created_at": "2022-09-04T14:38:42.080417Z",
"updated_at": "2022-09-04T14:38:42.080443Z",
"structure_string": "Ca1 B1 C1\n1.0\n4.123936 -0.000000 0.000000\n-2.061968 3.571433 -0.000000\n-0.000000 0.000000 4.261871\nCa B C\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Ca\n0.000000 0.000000 0.000000 B\n0.333333 0.666665 0.000000 C\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"B",
"C"
],
"chemical_system": "B-C-Ca",
"density": 1.6639602503726227,
"density_atomic": 0.047793246312391076,
"volume": 62.77037513608293,
"volume_molar": 12.600401154249854,
"formula_full": "Ca1 B1 C1",
"formula_reduced": "CaBC",
"formula_anonymous": "ABC",
"energy_above_hull": 3.652041001111111,
"spacegroup": 187
},
{
"id": "jvasp-25303",
"created_at": "2022-09-04T14:38:01.903468Z",
"updated_at": "2022-09-04T14:38:01.903490Z",
"structure_string": "Rb8\n1.0\n7.405024 -0.193484 2.542855\n2.252515 10.476754 6.277290\n0.351871 4.877755 11.420490\nRb\n8\ndirect\n0.559043 0.686336 0.188452 Rb\n0.933913 0.811308 0.313525 Rb\n0.683852 0.061028 0.563724 Rb\n0.433957 0.311611 0.813166 Rb\n0.308724 0.936904 0.437984 Rb\n0.809147 0.436074 0.938656 Rb\n0.058818 0.186646 0.688130 Rb\n0.184058 0.561858 0.062954 Rb\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.6638341190071106,
"density_atomic": 0.01172353011240965,
"volume": 682.3883184751494,
"volume_molar": 51.36798133546323,
"formula_full": "Rb8",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy_above_hull": 0.03142,
"spacegroup": 229
}
]
}