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=4512",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4510",
"results": [
{
"id": "jvasp-39199",
"created_at": "2022-09-04T14:37:52.964954Z",
"updated_at": "2022-09-04T14:37:52.964968Z",
"structure_string": "K3 Zr1\n1.0\n-0.000000 4.614967 4.614967\n4.614967 0.000000 4.614967\n4.614967 4.614967 -0.000000\nK Zr\n3 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 K\n0.250001 0.250001 0.250001 K\n0.750002 0.750002 0.750002 Zr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Zr"
],
"chemical_system": "K-Zr",
"density": 1.761402982459984,
"density_atomic": 0.020348115588799922,
"volume": 196.57839973160432,
"volume_molar": 29.59556983898169,
"formula_full": "K3 Zr1",
"formula_reduced": "K3Zr",
"formula_anonymous": "AB3",
"energy_above_hull": 0.615059625,
"spacegroup": 225
},
{
"id": "jvasp-55701",
"created_at": "2022-09-04T14:38:09.547990Z",
"updated_at": "2022-09-04T14:38:09.548014Z",
"structure_string": "Ca1 H12 Cl2 O6\n1.0\n3.921329 -6.791942 -0.000000\n3.921329 6.791942 0.000000\n-0.000000 -0.000000 3.877679\nCa H Cl O\n1 12 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.439168 0.338508 0.104815 H\n0.661492 0.100660 0.104815 H\n0.100660 0.661492 0.895185 H\n0.338508 0.439168 0.895185 H\n0.560832 0.899341 0.895185 H\n0.899341 0.560832 0.104815 H\n0.348427 0.115087 0.527103 H\n0.766661 0.651574 0.527103 H\n0.115087 0.348427 0.472897 H\n0.651574 0.766661 0.472897 H\n0.233339 0.884913 0.472897 H\n0.884913 0.233339 0.527103 H\n0.666667 0.333333 0.427783 Cl\n0.333333 0.666667 0.572217 Cl\n0.685842 0.000000 0.000000 O\n0.785366 0.785366 0.500000 O\n0.214634 0.000000 0.500000 O\n0.000000 0.214634 0.500000 O\n0.314158 0.314158 0.000000 O\n0.000000 0.685842 0.000000 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ca",
"H",
"Cl",
"O"
],
"chemical_system": "Ca-Cl-H-O",
"density": 1.7612222595351472,
"density_atomic": 0.10166938455462324,
"volume": 206.55185523147796,
"volume_molar": 5.9232587925862035,
"formula_full": "Ca1 H12 Cl2 O6",
"formula_reduced": "CaH12(ClO3)2",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 2.66289664547619,
"spacegroup": 150
},
{
"id": "jvasp-103818",
"created_at": "2022-09-04T14:36:54.650012Z",
"updated_at": "2022-09-04T14:36:54.650033Z",
"structure_string": "H4 C10 S3 O1\n1.0\n3.760218 0.001409 -0.089976\n-0.363716 5.972320 -1.747573\n-0.023940 -0.110167 9.955042\nH C S O\n4 10 3 1\ndirect\n0.686765 0.950367 0.090849 H\n0.685328 0.103801 0.914534 H\n0.768030 0.229275 0.343270 H\n0.763991 0.816757 0.665465 H\n0.352480 0.514434 0.918081 C\n0.357526 0.498583 0.067414 C\n0.465597 0.330742 0.808478 C\n0.556224 0.065253 0.573099 C\n0.475923 0.694691 0.182936 C\n0.561682 0.958437 0.424080 C\n0.654855 0.980471 0.682528 C\n0.612136 0.132462 0.815285 C\n0.617425 0.906259 0.184742 C\n0.661701 0.056111 0.320499 C\n0.409937 0.679987 0.352602 S\n0.401620 0.332316 0.634352 S\n0.153971 0.726287 0.885370 S\n0.232734 0.323083 0.088802 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.7611859619295922,
"density_atomic": 0.08078002083031535,
"volume": 222.82737507347744,
"volume_molar": 7.454987877076647,
"formula_full": "H4 C10 S3 O1",
"formula_reduced": "H4C10S3O",
"formula_anonymous": "AB3C4D10",
"energy_above_hull": 5.500141305555555,
"spacegroup": 1
},
{
"id": "jvasp-14343",
"created_at": "2022-09-04T14:36:59.931307Z",
"updated_at": "2022-09-04T14:36:59.931334Z",
"structure_string": "C2 N2 Cl2\n1.0\n3.761984 0.000000 0.000000\n0.000000 5.670516 0.000000\n0.000000 0.000000 5.435558\nC N Cl\n2 2 2\ndirect\n0.500000 0.432224 0.500000 C\n0.000000 0.567777 0.000000 C\n0.000000 0.361910 0.000000 N\n0.500000 0.638091 0.500000 N\n0.500000 0.147843 0.500000 Cl\n0.000000 0.852158 0.000000 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-N",
"density": 1.760603146759912,
"density_atomic": 0.051744904747412536,
"volume": 115.95344564432743,
"volume_molar": 11.638132854619146,
"formula_full": "C2 N2 Cl2",
"formula_reduced": "CNCl",
"formula_anonymous": "ABC",
"energy_above_hull": 3.460912439166666,
"spacegroup": 59
},
{
"id": "jvasp-25377",
"created_at": "2022-09-04T14:37:56.889274Z",
"updated_at": "2022-09-04T14:37:56.889284Z",
"structure_string": "Mg4\n1.0\n3.189961 0.000000 -0.000000\n-1.594981 2.762587 0.000000\n-0.000000 -0.000000 10.405701\nMg\n4\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333334 0.666669 0.250000 Mg\n0.000000 0.000000 0.500000 Mg\n0.666667 0.333332 0.750000 Mg\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Mg"
],
"chemical_system": "Mg",
"density": 1.7604838051691125,
"density_atomic": 0.043620165744055105,
"volume": 91.7007061245555,
"volume_molar": 13.805864001836683,
"formula_full": "Mg4",
"formula_reduced": "Mg",
"formula_anonymous": "A",
"energy_above_hull": 0.0068799999999999,
"spacegroup": 194
},
{
"id": "jvasp-33330",
"created_at": "2022-09-04T14:37:51.299674Z",
"updated_at": "2022-09-04T14:37:51.299714Z",
"structure_string": "Si1 H12 C2 N6 F6\n1.0\n5.768193 3.664037 -2.560732\n-5.768193 3.664037 2.560732\n-0.073272 0.000000 5.885570\nSi H C N F\n1 12 2 6 6\ndirect\n0.000000 0.000000 0.000000 Si\n0.547422 0.010915 0.746421 H\n0.989086 0.452579 0.746421 H\n0.452579 0.989086 0.253579 H\n0.010915 0.547422 0.253579 H\n0.305625 0.012619 0.739956 H\n0.987381 0.694376 0.739956 H\n0.694376 0.987381 0.260044 H\n0.012619 0.305625 0.260044 H\n0.307479 0.452579 0.741433 H\n0.547422 0.692522 0.741433 H\n0.692522 0.547422 0.258567 H\n0.452579 0.307479 0.258567 H\n0.722204 0.277797 0.272660 C\n0.277797 0.722204 0.727340 C\n0.382655 0.617346 0.719804 N\n0.617346 0.382654 0.280197 N\n0.383176 0.933027 0.727986 N\n0.066974 0.616825 0.727986 N\n0.616825 0.066973 0.272014 N\n0.933028 0.383176 0.272014 N\n0.179794 0.152795 0.806900 F\n0.847206 0.820207 0.806900 F\n0.820207 0.847206 0.193100 F\n0.152795 0.179794 0.193100 F\n0.851254 0.148747 0.832559 F\n0.148748 0.851253 0.167441 F\n",
"nsites": 27,
"nelements": 5,
"elements": [
"Si",
"H",
"C",
"N",
"F"
],
"chemical_system": "C-F-H-N-Si",
"density": 1.7600494358031098,
"density_atomic": 0.10913210248298731,
"volume": 247.40657776852646,
"volume_molar": 5.518211986192418,
"formula_full": "Si1 H12 C2 N6 F6",
"formula_reduced": "SiH12C2(NF)6",
"formula_anonymous": "AB2C6D6E12",
"energy_above_hull": 3.572193696111111,
"spacegroup": 12
},
{
"id": "jvasp-20765",
"created_at": "2022-09-04T14:38:29.449184Z",
"updated_at": "2022-09-04T14:38:29.449213Z",
"structure_string": "Ca4 Mg8\n1.0\n3.102331 -5.373394 -0.000000\n3.102331 5.373394 0.000000\n-0.000000 -0.000000 10.041745\nCa Mg\n4 8\ndirect\n0.666667 0.333333 0.561687 Ca\n0.333333 0.666667 0.061687 Ca\n0.333333 0.666667 0.438314 Ca\n0.666667 0.333333 0.938314 Ca\n0.830959 0.661920 0.250000 Mg\n0.661920 0.830959 0.750000 Mg\n0.169040 0.830959 0.750000 Mg\n0.830959 0.169040 0.250000 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.169040 0.338079 0.750000 Mg\n0.338079 0.169040 0.250000 Mg\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.7595351498847713,
"density_atomic": 0.03584307352213016,
"volume": 334.7927178340603,
"volume_molar": 16.80140726849728,
"formula_full": "Ca4 Mg8",
"formula_reduced": "CaMg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1235841666666666,
"spacegroup": 194
},
{
"id": "jvasp-104111",
"created_at": "2022-09-04T14:36:48.541077Z",
"updated_at": "2022-09-04T14:36:48.541096Z",
"structure_string": "H6 C13 S4\n1.0\n3.635341 0.344141 0.878765\n0.691793 6.182490 0.336692\n1.658525 0.344754 12.750025\nH C S\n6 13 4\ndirect\n0.235503 0.153402 0.133501 H\n0.466303 0.113732 0.757334 H\n0.981064 0.864395 0.651988 H\n0.450210 0.166342 0.956235 H\n0.303815 0.104004 0.327904 H\n0.948652 0.865076 0.453588 H\n0.080449 0.617206 0.050674 C\n0.168740 0.508422 0.644739 C\n0.150766 0.509736 0.450492 C\n0.199088 0.461785 0.752651 C\n0.129952 0.510442 0.150079 C\n0.165038 0.463074 0.342184 C\n0.040379 0.717327 0.496972 C\n0.052265 0.716598 0.604100 C\n0.208955 0.291085 0.183276 C\n0.346992 0.269434 0.800276 C\n0.234641 0.263996 0.290139 C\n0.329957 0.297117 0.909340 C\n0.158506 0.509433 0.948357 C\n0.073721 0.684200 0.255862 S\n0.923904 0.891771 0.053547 S\n0.032713 0.677416 0.845540 S\n0.267458 0.311792 0.544852 S\n",
"nsites": 23,
"nelements": 3,
"elements": [
"H",
"C",
"S"
],
"chemical_system": "C-H-S",
"density": 1.7570297045804286,
"density_atomic": 0.08378983516745499,
"volume": 274.49630320950297,
"volume_molar": 7.187197287075073,
"formula_full": "H6 C13 S4",
"formula_reduced": "H6C13S4",
"formula_anonymous": "A4B6C13",
"energy_above_hull": 5.620386086956522,
"spacegroup": 1
},
{
"id": "jvasp-91921",
"created_at": "2022-09-04T14:36:12.361588Z",
"updated_at": "2022-09-04T14:36:12.361610Z",
"structure_string": "Ca2 Mg6\n1.0\n6.827770 0.000000 0.000000\n-3.413884 5.913022 -0.000000\n-0.000000 -0.000000 5.291694\nCa Mg\n2 6\ndirect\n0.333333 0.666667 0.250000 Ca\n0.666667 0.333333 0.749999 Ca\n0.840418 0.159582 0.250000 Mg\n0.840418 0.680836 0.250000 Mg\n0.319164 0.159582 0.250000 Mg\n0.680836 0.840418 0.749999 Mg\n0.159583 0.840418 0.749999 Mg\n0.159582 0.319164 0.749999 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.7564974844448655,
"density_atomic": 0.0374461253336698,
"volume": 213.64026127442284,
"volume_molar": 16.08214656747189,
"formula_full": "Ca2 Mg6",
"formula_reduced": "CaMg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0898154999999999,
"spacegroup": 194
},
{
"id": "jvasp-118501",
"created_at": "2022-09-04T14:38:34.211642Z",
"updated_at": "2022-09-04T14:38:34.211676Z",
"structure_string": "H2 S1\n1.0\n3.770616 0.209849 -0.301589\n0.118747 -2.373086 -0.163781\n1.140109 -2.072196 -3.820759\nH S\n2 1\ndirect\n0.586119 0.773487 0.480883 H\n0.377772 0.565649 0.689029 H\n0.981931 0.169624 0.084895 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"H",
"S"
],
"chemical_system": "H-S",
"density": 1.7562968039659017,
"density_atomic": 0.09310205522987543,
"volume": 32.222704349466746,
"volume_molar": 6.468322042011766,
"formula_full": "H2 S1",
"formula_reduced": "H2S",
"formula_anonymous": "AB2",
"energy_above_hull": 2.21794,
"spacegroup": 65
},
{
"id": "jvasp-41937",
"created_at": "2022-09-04T14:37:40.171438Z",
"updated_at": "2022-09-04T14:37:40.171466Z",
"structure_string": "Li1 Ca2 Al1\n1.0\n-0.000000 3.779002 3.779002\n3.779002 -0.000000 3.779002\n3.779002 3.779002 0.000000\nLi Ca Al\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.249999 0.249999 0.249999 Al\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ca",
"Al"
],
"chemical_system": "Al-Ca-Li",
"density": 1.755058857618484,
"density_atomic": 0.03705942104807364,
"volume": 107.93476764818271,
"volume_molar": 16.249959091881262,
"formula_full": "Li1 Ca2 Al1",
"formula_reduced": "LiCa2Al",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.32518091,
"spacegroup": 225
},
{
"id": "jvasp-34791",
"created_at": "2022-09-04T14:37:07.961378Z",
"updated_at": "2022-09-04T14:37:07.961408Z",
"structure_string": "Mg1 H12 S1 O9\n1.0\n5.864494 -0.019795 -0.662975\n-0.739937 5.817661 -0.662975\n-0.017495 -0.019795 5.901824\nMg H S O\n1 12 1 9\ndirect\n0.989417 0.989420 0.989417 Mg\n0.183728 0.795430 0.366025 H\n0.016066 0.528729 0.943067 H\n0.943067 0.016069 0.528727 H\n0.619190 0.729481 0.131849 H\n0.131849 0.619191 0.729479 H\n0.528727 0.943068 0.016066 H\n0.401066 0.270050 0.064160 H\n0.064160 0.401066 0.270049 H\n0.270050 0.064161 0.401066 H\n0.366026 0.183730 0.795428 H\n0.795428 0.366027 0.183728 H\n0.729480 0.131851 0.619190 H\n0.501921 0.501923 0.501921 S\n0.137232 0.945773 0.326619 O\n0.945772 0.326621 0.137232 O\n0.326619 0.137234 0.945771 O\n0.872422 0.065850 0.667824 O\n0.065848 0.667826 0.872422 O\n0.667824 0.872424 0.065847 O\n0.478755 0.249626 0.556129 O\n0.249624 0.556130 0.478755 O\n0.556129 0.478756 0.249624 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Mg",
"H",
"S",
"O"
],
"chemical_system": "H-Mg-O-S",
"density": 1.7542058378158025,
"density_atomic": 0.11436216242934802,
"volume": 201.1154695873227,
"volume_molar": 5.265850725514593,
"formula_full": "Mg1 H12 S1 O9",
"formula_reduced": "MgH12SO9",
"formula_anonymous": "ABC9D12",
"energy_above_hull": 2.912930023913044,
"spacegroup": 146
}
]
}