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=4430",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4428",
"results": [
{
"id": "jvasp-114562",
"created_at": "2022-09-04T14:38:42.311232Z",
"updated_at": "2022-09-04T14:38:42.311253Z",
"structure_string": "Ba1 Cl2\n1.0\n7.376410 0.000000 0.000000\n0.000000 4.608153 0.000000\n0.000000 0.000000 4.781280\nBa Cl\n1 2\ndirect\n0.000000 0.450651 0.000000 Ba\n0.253370 0.950674 0.000000 Cl\n0.746630 0.950674 0.000000 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ba",
"Cl"
],
"chemical_system": "Ba-Cl",
"density": 2.1275635338880976,
"density_atomic": 0.018458871189501482,
"volume": 162.5234809432039,
"volume_molar": 32.62464263483839,
"formula_full": "Ba1 Cl2",
"formula_reduced": "BaCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2303833333333333,
"spacegroup": 47
},
{
"id": "jvasp-54759",
"created_at": "2022-09-04T14:35:46.992727Z",
"updated_at": "2022-09-04T14:35:46.992747Z",
"structure_string": "Na2 H2 O2\n1.0\n0.000000 3.157760 -0.300580\n4.258518 0.000000 0.000000\n0.000000 -0.449764 -4.600118\nNa H O\n2 2 2\ndirect\n0.072410 0.000000 0.297480 Na\n0.908421 0.500000 0.796752 Na\n0.538197 0.000000 0.798842 H\n0.442737 0.500000 0.295422 H\n0.230598 0.000000 0.797487 O\n0.750336 0.500000 0.296691 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"H",
"O"
],
"chemical_system": "H-Na-O",
"density": 2.1275410780091053,
"density_atomic": 0.09609958379132627,
"volume": 62.435233986326026,
"volume_molar": 6.2665627908198545,
"formula_full": "Na2 H2 O2",
"formula_reduced": "NaHO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7983541666666669,
"spacegroup": 59
},
{
"id": "jvasp-30444",
"created_at": "2022-09-04T14:38:04.116170Z",
"updated_at": "2022-09-04T14:38:04.116194Z",
"structure_string": "Mg2 H8 N4 O16\n1.0\n5.645984 0.000000 0.034188\n0.000000 5.966101 0.000000\n-0.082272 0.000000 8.546176\nMg H N O\n2 8 4 16\ndirect\n0.000000 0.500001 0.000000 Mg\n0.999998 0.000000 0.500001 Mg\n0.581158 0.276114 -0.011469 H\n0.218087 0.834556 0.110804 H\n0.781911 0.334554 0.389198 H\n0.418843 0.776115 0.511471 H\n0.581157 0.223885 0.488530 H\n0.218088 0.665445 0.610804 H\n0.781912 0.165445 0.889197 H\n0.418844 0.723886 0.011470 H\n0.252673 0.149201 0.800548 N\n0.747328 0.649203 0.699453 N\n0.747327 0.850798 0.199452 N\n0.252672 0.350796 0.300547 N\n0.246192 0.749099 0.513373 O\n0.948416 0.614803 0.764678 O\n0.561622 0.574586 0.754970 O\n0.438380 0.074587 0.745032 O\n0.051583 0.114803 0.735323 O\n0.743171 0.765729 0.572693 O\n0.753808 0.250900 0.486627 O\n0.246191 0.750901 0.013374 O\n0.948417 0.885197 0.264679 O\n0.561620 0.925412 0.254969 O\n0.438378 0.425415 0.245030 O\n0.051584 0.385197 0.235323 O\n0.743172 0.734271 0.072692 O\n0.256828 0.265728 0.927308 O\n0.256829 0.234272 0.427308 O\n0.753809 0.249098 0.986628 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Mg",
"H",
"N",
"O"
],
"chemical_system": "H-Mg-N-O",
"density": 2.1265907070107506,
"density_atomic": 0.10420627278836056,
"volume": 287.8905386140141,
"volume_molar": 5.779057823352694,
"formula_full": "Mg2 H8 N4 O16",
"formula_reduced": "MgH4(NO4)2",
"formula_anonymous": "AB2C4D8",
"energy_above_hull": 3.1668702366666666,
"spacegroup": 14
},
{
"id": "jvasp-121046",
"created_at": "2022-09-04T14:38:54.260993Z",
"updated_at": "2022-09-04T14:38:54.261020Z",
"structure_string": "Al1 C3\n1.0\n3.252992 0.019673 0.398203\n0.063709 -5.606045 -0.269865\n-1.311892 1.077581 -2.805111\nAl C\n1 3\ndirect\n0.857916 0.556077 0.130404 Al\n0.736927 0.192655 0.888326 C\n0.657289 0.954119 0.729182 C\n0.571802 0.697857 0.558458 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"C"
],
"chemical_system": "Al-C",
"density": 2.126311761004688,
"density_atomic": 0.08128366501812403,
"volume": 49.21037946687209,
"volume_molar": 7.408795800062938,
"formula_full": "Al1 C3",
"formula_reduced": "AlC3",
"formula_anonymous": "AB3",
"energy_above_hull": 5.0678532,
"spacegroup": 160
},
{
"id": "jvasp-108767",
"created_at": "2022-09-04T14:38:26.917448Z",
"updated_at": "2022-09-04T14:38:26.917476Z",
"structure_string": "K1 Na4 Cl5\n1.0\n4.064687 0.004199 -14.028400\n-0.077875 4.063943 -14.028400\n-0.004115 -0.004199 14.605399\nK Na Cl\n1 4 5\ndirect\n0.000000 0.000000 0.000000 K\n0.396239 0.396238 0.000000 Na\n0.797879 0.797877 0.000001 Na\n0.202123 0.202122 0.000000 Na\n0.603763 0.603761 0.000001 Na\n0.105907 0.105907 0.000000 Cl\n0.500001 0.500000 0.000001 Cl\n0.894094 0.894092 0.000001 Cl\n0.298739 0.298739 0.000000 Cl\n0.701263 0.701261 0.000001 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Na",
"Cl"
],
"chemical_system": "Cl-K-Na",
"density": 2.1262746594790154,
"density_atomic": 0.041530314529344386,
"volume": 240.78796689426045,
"volume_molar": 14.500590299514567,
"formula_full": "K1 Na4 Cl5",
"formula_reduced": "KNa4Cl5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.0019419999999999,
"spacegroup": 139
},
{
"id": "jvasp-35158",
"created_at": "2022-09-04T14:38:13.876334Z",
"updated_at": "2022-09-04T14:38:13.876351Z",
"structure_string": "K8 P1 O3\n1.0\n6.739022 0.000000 -0.000000\n0.000000 6.739022 -0.000000\n0.000000 0.000000 6.739022\nK P O\n8 1 3\ndirect\n0.264949 0.264949 0.264949 K\n0.735051 0.735051 0.264949 K\n0.735051 0.264949 0.735051 K\n0.264949 0.735051 0.735051 K\n0.264949 0.264949 0.735051 K\n0.735051 0.735051 0.735051 K\n0.735051 0.264949 0.264949 K\n0.264949 0.735051 0.264949 K\n0.000000 0.000000 0.000000 P\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"P",
"O"
],
"chemical_system": "K-O-P",
"density": 2.12557654996642,
"density_atomic": 0.03920943855021491,
"volume": 306.0487587607711,
"volume_molar": 15.35890587233872,
"formula_full": "K8 P1 O3",
"formula_reduced": "K8PO3",
"formula_anonymous": "AB3C8",
"energy_above_hull": 0.2084508333333333,
"spacegroup": 221
},
{
"id": "jvasp-34195",
"created_at": "2022-09-04T14:37:28.165724Z",
"updated_at": "2022-09-04T14:37:28.165749Z",
"structure_string": "Na4 C1 O4\n1.0\n4.489363 -0.000003 1.655378\n2.244896 5.237391 0.827143\n0.432481 -0.000586 5.741493\nNa C O\n4 1 4\ndirect\n0.321431 0.651823 0.999950 Na\n0.678558 0.000057 0.348185 Na\n0.973203 0.348179 0.000053 Na\n0.026788 0.999945 0.651821 Na\n0.500005 0.000002 -0.000005 C\n0.217609 0.000024 0.224149 O\n0.782415 0.775848 -0.000025 O\n0.441759 -0.000028 0.775848 O\n0.558230 0.224149 0.000022 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Na",
"C",
"O"
],
"chemical_system": "C-Na-O",
"density": 2.125115755344428,
"density_atomic": 0.06857267042237448,
"volume": 131.24762306272095,
"volume_molar": 8.782129561101423,
"formula_full": "Na4 C1 O4",
"formula_reduced": "Na4CO4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 1.5168988888888888,
"spacegroup": 121
},
{
"id": "jvasp-79185",
"created_at": "2022-09-04T14:37:10.378004Z",
"updated_at": "2022-09-04T14:37:10.378031Z",
"structure_string": "Mg3 B1\n1.0\n5.504500 -1.474901 0.000000\n-2.014776 3.489695 0.000000\n0.000000 0.000000 4.029935\nMg B\n3 1\ndirect\n0.750221 0.750221 0.250000 Mg\n0.250115 0.250115 0.750001 Mg\n0.750168 0.250168 0.750001 Mg\n0.249494 0.749493 0.250000 B\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"B"
],
"chemical_system": "B-Mg",
"density": 2.124682697227046,
"density_atomic": 0.06112862564775318,
"volume": 65.43579145799137,
"volume_molar": 9.85158867255074,
"formula_full": "Mg3 B1",
"formula_reduced": "Mg3B",
"formula_anonymous": "AB3",
"energy_above_hull": 0.7590346547619048,
"spacegroup": 221
},
{
"id": "jvasp-52890",
"created_at": "2022-09-04T14:35:55.300160Z",
"updated_at": "2022-09-04T14:35:55.300188Z",
"structure_string": "K4 Ga4 H16\n1.0\n5.524109 -0.000000 0.000000\n-0.000000 7.186636 0.000000\n0.000000 0.000000 8.886805\nK Ga H\n4 4 16\ndirect\n0.250000 0.333777 0.678365 K\n0.250000 0.166224 0.178365 K\n0.750000 0.666224 0.321635 K\n0.750000 0.833777 0.821635 K\n0.250000 0.690049 0.067831 Ga\n0.250000 0.809952 0.567831 Ga\n0.750000 0.309951 0.932168 Ga\n0.750000 0.190049 0.432168 Ga\n0.484264 0.678474 0.583556 H\n0.015737 0.821527 0.083557 H\n0.015737 0.678474 0.583556 H\n0.484264 0.821527 0.083557 H\n0.515737 0.321527 0.416443 H\n0.984264 0.178474 0.916443 H\n0.750000 0.045890 0.295212 H\n0.750000 0.091321 0.592503 H\n0.250000 0.954111 0.704788 H\n0.250000 0.545890 0.204788 H\n0.515737 0.178474 0.916443 H\n0.750000 0.408679 0.092503 H\n0.250000 0.908679 0.407497 H\n0.250000 0.591322 0.907497 H\n0.750000 0.454111 0.795212 H\n0.984264 0.321527 0.416443 H\n",
"nsites": 24,
"nelements": 3,
"elements": [
"K",
"Ga",
"H"
],
"chemical_system": "Ga-H-K",
"density": 2.1246572988433368,
"density_atomic": 0.06802643361988216,
"volume": 352.80403106397,
"volume_molar": 8.852648065677666,
"formula_full": "K4 Ga4 H16",
"formula_reduced": "KGaH4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.6115500541666672,
"spacegroup": 62
},
{
"id": "jvasp-98559",
"created_at": "2022-09-04T14:35:53.076549Z",
"updated_at": "2022-09-04T14:35:53.076576Z",
"structure_string": "K4 Ni2 H24 C8 O28\n1.0\n6.628831 0.000000 0.000000\n0.000000 8.436481 -1.681406\n0.000000 0.004726 11.767578\nK Ni H C O\n4 2 24 8 28\ndirect\n0.660507 0.559785 0.877565 K\n0.160507 0.940216 0.622435 K\n0.839493 0.059785 0.377565 K\n0.339493 0.440215 0.122435 K\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.996243 0.286098 0.227891 H\n0.918087 0.825556 0.149819 H\n0.004553 0.679615 0.266947 H\n0.076399 0.600883 0.656684 H\n-0.004553 0.320385 0.733053 H\n0.785566 0.398234 0.614771 H\n0.915204 0.576427 0.149552 H\n0.503757 0.786099 0.727891 H\n0.496243 0.213902 0.272109 H\n0.418087 0.674444 0.350180 H\n0.495447 0.179615 0.766947 H\n0.081913 0.174444 0.850181 H\n0.504553 0.820385 0.233052 H\n0.581913 0.325556 0.649820 H\n0.423601 0.100882 0.156684 H\n0.415204 0.923573 0.350448 H\n0.584796 0.076427 0.649552 H\n0.214434 0.601766 0.385229 H\n0.714434 0.898234 0.114771 H\n0.576399 0.899118 0.843316 H\n0.084796 0.423573 0.850448 H\n0.285566 0.101767 0.885229 H\n0.923601 0.399118 0.343316 H\n0.003757 0.713902 0.772109 H\n0.690675 0.799361 0.543509 C\n0.671795 0.186450 0.957737 C\n0.190675 0.700639 0.956491 C\n0.828205 0.686449 0.457737 C\n0.171795 0.313551 0.542263 C\n0.309325 0.200639 0.456491 C\n0.328205 0.813551 0.042262 C\n0.809325 0.299361 0.043509 C\n0.482056 0.812165 0.812325 O\n0.232766 0.456483 0.571866 O\n0.515097 0.838473 0.318581 O\n0.012974 0.258965 0.579013 O\n0.517944 0.187836 0.187674 O\n0.767234 0.543517 0.428133 O\n0.267234 0.956483 0.071866 O\n0.243696 0.558581 0.924852 O\n0.487026 0.758965 0.079013 O\n0.732766 0.043517 0.928134 O\n0.145412 0.072076 0.862049 O\n0.854588 0.927925 0.137951 O\n0.028043 0.762077 0.925980 O\n0.971957 0.237923 0.074020 O\n0.987026 0.741035 0.420986 O\n0.015097 0.661527 0.181418 O\n0.756304 0.441419 0.075148 O\n0.354588 0.572075 0.362049 O\n0.256304 0.058581 0.424852 O\n0.645412 0.427925 0.637951 O\n0.743696 0.941419 0.575148 O\n0.512973 0.241035 0.920987 O\n0.484903 0.161527 0.681419 O\n0.982056 0.687836 0.687674 O\n0.528043 0.737924 0.574019 O\n0.471957 0.262077 0.425980 O\n0.984903 0.338473 0.818582 O\n0.017944 0.312164 0.312325 O\n",
"nsites": 66,
"nelements": 5,
"elements": [
"K",
"Ni",
"H",
"C",
"O"
],
"chemical_system": "C-H-K-Ni-O",
"density": 2.1245226431985786,
"density_atomic": 0.10028219001919961,
"volume": 658.142786743727,
"volume_molar": 6.005194699923313,
"formula_full": "K4 Ni2 H24 C8 O28",
"formula_reduced": "K2NiH12(C2O7)2",
"formula_anonymous": "AB2C4D12E14",
"energy_above_hull": 3.4026035575757576,
"spacegroup": 14
},
{
"id": "jvasp-29213",
"created_at": "2022-09-04T14:37:40.631314Z",
"updated_at": "2022-09-04T14:37:40.631335Z",
"structure_string": "C2\n1.0\n2.464629 0.000088 0.000000\n-1.232389 2.134396 -0.000000\n-0.000007 -0.000003 3.569334\nC\n2\ndirect\n0.833334 0.666669 0.000000 C\n0.166667 0.333334 0.000000 C\n",
"nsites": 2,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 2.124343380064857,
"density_atomic": 0.10651414873192876,
"volume": 18.7768481822404,
"volume_molar": 5.6538411391300905,
"formula_full": "C2",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy_above_hull": 0.0127100000000002,
"spacegroup": 191
},
{
"id": "jvasp-25071",
"created_at": "2022-09-04T14:37:47.045030Z",
"updated_at": "2022-09-04T14:37:47.045061Z",
"structure_string": "C2\n1.0\n2.464635 0.000082 0.000001\n-1.232398 2.134405 0.000001\n0.000008 0.000008 3.569339\nC\n2\ndirect\n0.833336 0.666667 -0.000000 C\n0.166666 0.333335 -0.000000 C\n",
"nsites": 2,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 2.124329261077804,
"density_atomic": 0.10651344080876483,
"volume": 18.77697297931458,
"volume_molar": 5.653878716407448,
"formula_full": "C2",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy_above_hull": 0.0127100000000002,
"spacegroup": 191
}
]
}