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=4445",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4443",
"results": [
{
"id": "jvasp-117755",
"created_at": "2022-09-04T14:38:26.672546Z",
"updated_at": "2022-09-04T14:38:26.672573Z",
"structure_string": "Ca1 H1 Br1\n1.0\n4.650028 3.052330 0.000000\n3.761433 6.862117 0.000000\n0.000000 0.000000 4.743604\nCa H Br\n1 1 1\ndirect\n0.245363 0.015391 0.000000 Ca\n-0.041132 0.444997 0.000000 H\n0.118913 -0.275948 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"H",
"Br"
],
"chemical_system": "Br-Ca-H",
"density": 2.0733192465234085,
"density_atomic": 0.03095915333282075,
"volume": 96.90187479447663,
"volume_molar": 19.451890997341142,
"formula_full": "Ca1 H1 Br1",
"formula_reduced": "CaHBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2929481750000002,
"spacegroup": 38
},
{
"id": "jvasp-5407",
"created_at": "2022-09-04T14:38:11.874861Z",
"updated_at": "2022-09-04T14:38:11.874889Z",
"structure_string": "K8 Mn2 Cl12\n1.0\n8.790356 -0.035301 0.036519\n0.036220 8.790352 0.036519\n-0.035590 -0.035301 8.790359\nK Mn Cl\n8 2 12\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 K\n-0.000000 0.000000 0.500000 K\n0.500000 0.000000 0.000000 K\n-0.000000 0.500000 0.000000 K\n0.500000 0.500000 0.000000 K\n-0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.750000 Mn\n0.250026 0.250026 0.958284 Cl\n0.750026 0.750026 0.458284 Cl\n0.541716 0.249974 0.249974 Cl\n0.249974 0.541716 0.249974 Cl\n0.249974 0.249974 0.541716 Cl\n0.749975 0.041716 0.749975 Cl\n0.749975 0.749974 0.041716 Cl\n0.041716 0.749974 0.749975 Cl\n0.458284 0.750026 0.750026 Cl\n0.750026 0.458284 0.750026 Cl\n0.958285 0.250026 0.250026 Cl\n0.250026 0.958284 0.250026 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"K",
"Mn",
"Cl"
],
"chemical_system": "Cl-K-Mn",
"density": 2.073262580204529,
"density_atomic": 0.03238781147746624,
"volume": 679.2678787607016,
"volume_molar": 18.593848998379816,
"formula_full": "K8 Mn2 Cl12",
"formula_reduced": "K4MnCl6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 229
},
{
"id": "jvasp-22572",
"created_at": "2022-09-04T14:36:55.747666Z",
"updated_at": "2022-09-04T14:36:55.747684Z",
"structure_string": "Si4 O8\n1.0\n4.668734 0.000003 1.817261\n2.334342 6.198965 0.908686\n0.085744 0.000061 6.685567\nSi O\n4 8\ndirect\n0.784280 0.353392 0.003703 Si\n0.212025 0.003702 0.646606 Si\n0.862334 0.996296 0.353394 Si\n0.141372 0.646611 0.996303 Si\n0.872600 0.544319 0.059616 O\n0.583085 0.940386 0.544318 O\n0.067779 0.059616 0.455687 O\n0.084427 0.786262 0.198774 O\n0.069457 0.213742 0.801223 O\n0.716796 0.198766 0.213738 O\n0.476532 0.455683 0.940386 O\n0.129299 0.801227 0.786263 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.072941815734673,
"density_atomic": 0.0623301631505646,
"volume": 192.52316043217834,
"volume_molar": 9.661679764022004,
"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.3959352000000005,
"spacegroup": 82
},
{
"id": "jvasp-8755",
"created_at": "2022-09-04T14:37:15.244022Z",
"updated_at": "2022-09-04T14:37:15.244054Z",
"structure_string": "Li1 S1\n1.0\n3.535383 -0.000000 -0.000000\n1.767692 3.061731 -0.000000\n1.767692 1.020577 2.886628\nLi S\n1 1\ndirect\n0.499999 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Li",
"S"
],
"chemical_system": "Li-S",
"density": 2.072937429032951,
"density_atomic": 0.06400820893515347,
"volume": 31.245992244935245,
"volume_molar": 9.408388174243422,
"formula_full": "Li1 S1",
"formula_reduced": "LiS",
"formula_anonymous": "AB",
"energy_above_hull": 0.5209500000000002,
"spacegroup": 225
},
{
"id": "jvasp-112117",
"created_at": "2022-09-04T14:38:44.510978Z",
"updated_at": "2022-09-04T14:38:44.511007Z",
"structure_string": "Cd1 H16 C10 O4\n1.0\n3.855210 0.019031 -0.226362\n-0.552241 4.323129 -0.567902\n-0.249571 -0.028419 15.038359\nCd H C O\n1 16 10 4\ndirect\n0.480044 0.038907 0.147716 Cd\n0.503252 0.858316 0.526525 H\n0.212635 0.628690 0.921456 H\n0.808239 0.644161 0.966089 H\n0.927217 0.507223 0.764118 H\n0.509178 0.521008 0.801937 H\n0.644270 0.403810 0.603314 H\n0.221115 0.394294 0.639392 H\n0.366399 0.299622 0.440943 H\n0.936288 0.257422 0.474067 H\n0.011621 0.064715 0.853622 H\n0.602615 0.098548 0.895510 H\n0.752596 0.961134 0.690271 H\n0.334178 0.966173 0.728863 H\n0.276409 0.750405 0.362743 H\n0.852109 0.702520 0.396838 H\n0.081137 0.839022 0.563474 H\n0.135851 0.367486 0.029257 C\n-0.003941 0.485374 0.945341 C\n0.825867 0.231204 0.870600 C\n0.704784 0.362925 0.785774 C\n0.553454 0.114783 0.707359 C\n0.160637 0.131523 0.459587 C\n0.292740 -0.000190 0.543413 C\n0.056044 0.876938 0.379691 C\n0.902155 0.981163 0.295090 C\n0.427819 0.247932 0.623194 C\n0.403443 0.515523 0.078188 O\n0.968532 0.844893 0.217868 O\n0.688722 0.181581 0.299385 O\n-0.002036 0.108580 0.048823 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.072570552646454,
"density_atomic": 0.12375812199795191,
"volume": 250.488610359755,
"volume_molar": 4.866057001171739,
"formula_full": "Cd1 H16 C10 O4",
"formula_reduced": "CdH16(C5O2)2",
"formula_anonymous": "AB4C10D16",
"energy_above_hull": 4.525729798387096,
"spacegroup": 1
},
{
"id": "jvasp-43827",
"created_at": "2022-09-04T14:35:59.737254Z",
"updated_at": "2022-09-04T14:35:59.737287Z",
"structure_string": "Li4 Fe2 F8\n1.0\n3.158538 0.000000 0.000000\n0.000000 8.585094 0.000000\n0.000000 0.000000 8.611149\nLi Fe F\n4 2 8\ndirect\n0.000000 0.258324 0.487985 Li\n0.000000 0.234471 0.988070 Li\n0.000000 0.758324 0.512015 Li\n0.000000 0.734470 0.011930 Li\n0.500000 -0.003561 0.750026 Fe\n0.500000 0.496439 0.249974 Fe\n0.000000 0.111482 0.635335 F\n0.500000 0.164756 0.918102 F\n0.500000 0.328079 0.418018 F\n0.000000 0.381423 0.135284 F\n0.000000 0.611482 0.364666 F\n0.500000 0.664755 0.081898 F\n0.500000 0.828079 0.581982 F\n0.000000 0.881423 0.864716 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 2.072563364780594,
"density_atomic": 0.059956430712517945,
"volume": 233.50289257757672,
"volume_molar": 10.04419490692376,
"formula_full": "Li4 Fe2 F8",
"formula_reduced": "Li2FeF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.3259895185714285,
"spacegroup": 127
},
{
"id": "jvasp-112197",
"created_at": "2022-09-04T14:38:45.512459Z",
"updated_at": "2022-09-04T14:38:45.512494Z",
"structure_string": "Cd1 H16 C10 O4\n1.0\n3.855065 0.026831 -0.233346\n-0.563846 4.323288 -0.553964\n-0.226463 -0.071559 15.040204\nCd H C O\n1 16 10 4\ndirect\n0.506414 0.008784 0.145015 Cd\n0.529357 0.827894 0.523873 H\n0.238590 0.598481 0.918747 H\n0.834315 0.613846 0.963384 H\n0.952834 0.477051 0.761463 H\n0.534771 0.490374 0.799233 H\n0.670124 0.373500 0.600664 H\n0.246901 0.363571 0.636656 H\n0.392787 0.269140 0.438254 H\n0.962600 0.226816 0.471296 H\n0.037346 0.034409 0.850946 H\n0.628435 0.068123 0.892833 H\n0.778521 0.930849 0.687613 H\n0.360031 0.935448 0.726128 H\n0.302625 0.719889 0.360049 H\n0.878281 0.671870 0.394082 H\n0.107121 0.808314 0.560706 H\n0.161929 0.337283 0.026563 C\n0.022039 0.455096 0.942643 C\n0.851676 0.200854 0.867919 C\n0.730483 0.332512 0.783094 C\n0.579290 0.084290 0.704670 C\n0.186911 0.100964 0.456862 C\n0.318797 0.969253 0.540703 C\n0.082299 0.846372 0.376965 C\n0.928528 0.950640 0.292356 C\n0.453692 0.217403 0.620498 C\n0.429664 0.485401 0.075468 O\n0.994895 0.814521 0.215148 O\n0.715177 0.151035 0.296648 O\n0.023975 0.078375 0.046166 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.0724050572731985,
"density_atomic": 0.12374823987520955,
"volume": 250.50861354683576,
"volume_molar": 4.8664455882951225,
"formula_full": "Cd1 H16 C10 O4",
"formula_reduced": "CdH16(C5O2)2",
"formula_anonymous": "AB4C10D16",
"energy_above_hull": 4.525728508064516,
"spacegroup": 1
},
{
"id": "jvasp-91870",
"created_at": "2022-09-04T14:36:01.985282Z",
"updated_at": "2022-09-04T14:36:01.985315Z",
"structure_string": "Mg7 Ti1\n1.0\n6.347491 0.000000 -0.000000\n-3.173746 5.497088 -0.000000\n-0.000000 -0.000000 5.006372\nMg Ti\n7 1\ndirect\n0.170140 0.835071 0.250000 Mg\n0.664930 0.329860 0.250000 Mg\n0.664929 0.835071 0.250000 Mg\n0.327473 0.172527 0.750000 Mg\n0.327473 0.654949 0.750000 Mg\n0.845051 0.172527 0.750000 Mg\n0.833333 0.666667 0.750000 Mg\n0.166667 0.333333 0.250000 Ti\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Ti"
],
"chemical_system": "Mg-Ti",
"density": 2.072295459166167,
"density_atomic": 0.045796478768892736,
"volume": 174.68591942125474,
"volume_molar": 13.149789944310173,
"formula_full": "Mg7 Ti1",
"formula_reduced": "Mg7Ti",
"formula_anonymous": "AB7",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-8695",
"created_at": "2022-09-04T14:36:39.832935Z",
"updated_at": "2022-09-04T14:36:39.832961Z",
"structure_string": "Na1 Li5 N2\n1.0\n3.649704 0.000000 -0.000000\n0.000000 3.649704 0.000000\n0.000000 0.000000 5.159972\nNa Li N\n1 5 2\ndirect\n0.499999 0.499999 0.500000 Na\n0.499999 0.000000 0.243308 Li\n0.000000 0.499999 0.243308 Li\n0.499999 0.000000 0.756692 Li\n0.000000 0.499999 0.756692 Li\n0.000000 0.000000 0.000000 Li\n0.499999 0.499999 0.000000 N\n0.000000 0.000000 0.500000 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Li",
"N"
],
"chemical_system": "Li-N-Na",
"density": 2.0706594756906824,
"density_atomic": 0.11639313206850832,
"volume": 68.7325777545985,
"volume_molar": 5.173965725447961,
"formula_full": "Na1 Li5 N2",
"formula_reduced": "NaLi5N2",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.8759144375,
"spacegroup": 123
},
{
"id": "jvasp-96828",
"created_at": "2022-09-04T14:36:22.239179Z",
"updated_at": "2022-09-04T14:36:22.239201Z",
"structure_string": "H20 C6 I2 N2\n1.0\n5.467372 0.015379 0.000000\n-1.655878 6.769588 0.000000\n0.000000 0.000000 8.102706\nH C I N\n20 6 2 2\ndirect\n0.293188 0.874504 0.102129 H\n0.274234 0.613140 0.404817 H\n0.293188 0.874504 0.397871 H\n0.165172 0.350497 0.861423 H\n0.473414 0.218398 0.489386 H\n0.274234 0.613140 0.095183 H\n0.526585 0.781603 0.510614 H\n0.591896 0.478882 0.250000 H\n0.706811 0.125497 0.602129 H\n0.706811 0.125497 0.897872 H\n0.312797 0.083857 0.750000 H\n0.725766 0.386861 0.904817 H\n0.834828 0.649504 0.361423 H\n0.526585 0.781603 -0.010614 H\n0.687202 0.916143 0.250000 H\n0.834828 0.649504 0.138578 H\n0.408103 0.521119 0.750000 H\n0.473414 0.218398 0.010614 H\n0.165172 0.350497 0.638578 H\n0.725766 0.386861 0.595184 H\n0.598055 0.239307 0.902428 C\n0.717280 0.627231 0.250000 C\n0.401944 0.760694 0.402428 C\n0.598055 0.239307 0.597573 C\n0.282719 0.372769 0.750000 C\n0.401944 0.760694 0.097572 C\n0.956098 0.797927 0.750000 I\n0.043901 0.202074 0.250000 I\n0.440266 0.224007 0.750000 N\n0.559733 0.775993 0.250000 N\n",
"nsites": 30,
"nelements": 4,
"elements": [
"H",
"C",
"I",
"N"
],
"chemical_system": "C-H-I-N",
"density": 2.069682329823811,
"density_atomic": 0.09996583560958947,
"volume": 300.1025281993659,
"volume_molar": 6.02419889082817,
"formula_full": "H20 C6 I2 N2",
"formula_reduced": "H10C3IN",
"formula_anonymous": "ABC3D10",
"energy_above_hull": 4.016619301666667,
"spacegroup": 11
},
{
"id": "jvasp-101963",
"created_at": "2022-09-04T14:36:56.653204Z",
"updated_at": "2022-09-04T14:36:56.653227Z",
"structure_string": "Cd1 H16 C10 O4\n1.0\n3.902547 -0.072531 -0.427097\n-1.027564 4.171866 -0.459337\n-0.543155 -0.082542 15.551312\nCd H C O\n1 16 10 4\ndirect\n0.447590 0.962721 0.152575 Cd\n0.581191 0.849410 0.524062 H\n0.209808 0.619444 0.951843 H\n0.748971 0.561311 0.952237 H\n0.002379 0.530157 0.774426 H\n0.559883 0.459683 0.792815 H\n0.746348 0.415546 0.604633 H\n0.316782 0.352364 0.631521 H\n0.456801 0.288828 0.439012 H\n0.028724 0.220033 0.468039 H\n0.088433 0.080339 0.859304 H\n0.637045 -0.006916 0.871648 H\n0.858759 0.973638 0.688823 H\n0.422579 0.895069 0.711769 H\n0.302584 0.716883 0.361915 H\n0.883430 0.643409 0.393572 H\n0.154879 0.782958 0.552726 H\n-0.020436 0.276298 0.032256 C\n-0.039988 0.434906 0.949876 C\n0.865945 0.190260 0.865681 C\n0.771725 0.338921 0.783340 C\n0.645198 0.089624 0.700477 C\n0.239488 0.102831 0.455419 C\n0.374608 0.971656 0.537678 C\n0.096969 0.834694 0.377266 C\n0.927005 0.930635 0.294418 C\n0.522475 0.228338 0.618471 C\n0.245805 0.392574 0.095745 O\n0.955130 0.790834 0.218760 O\n0.729907 0.122624 0.298618 O\n0.731109 0.028299 0.034792 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.0694998079069933,
"density_atomic": 0.12357476051884304,
"volume": 250.86028789246998,
"volume_molar": 4.873277305750252,
"formula_full": "Cd1 H16 C10 O4",
"formula_reduced": "CdH16(C5O2)2",
"formula_anonymous": "AB4C10D16",
"energy_above_hull": 4.52577754032258,
"spacegroup": 1
},
{
"id": "jvasp-54717",
"created_at": "2022-09-04T14:36:38.597992Z",
"updated_at": "2022-09-04T14:36:38.598020Z",
"structure_string": "H14 Br2 O6\n1.0\n6.058278 -0.049948 0.564393\n0.118440 6.181263 -0.146418\n3.144601 0.175818 6.071700\nH Br O\n14 2 6\ndirect\n0.806445 0.464439 0.172569 H\n0.349302 0.143690 0.383384 H\n0.256987 0.441510 0.544106 H\n0.217325 0.227184 0.697828 H\n0.112064 0.778604 0.707471 H\n0.828067 0.284659 0.434081 H\n0.694042 0.254210 0.714571 H\n0.932888 0.658272 0.648643 H\n0.721255 0.723052 0.436400 H\n0.533049 0.748262 0.711662 H\n0.573252 -0.016753 0.165707 H\n0.283523 0.877942 0.363097 H\n0.073251 0.504593 0.158852 H\n0.716819 0.025600 0.558200 H\n0.528070 0.506424 -0.019814 Br\n0.994919 -0.000946 -0.000701 Br\n0.118553 0.695509 0.579045 O\n0.881006 0.488644 0.267864 O\n0.378527 0.011021 0.266793 O\n0.606241 0.827176 0.561601 O\n0.802806 0.177760 0.561181 O\n0.329483 0.294801 0.540542 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"H",
"Br",
"O"
],
"chemical_system": "Br-H-O",
"density": 2.0690088089768532,
"density_atomic": 0.10155656468422099,
"volume": 216.62804436529132,
"volume_molar": 5.929838980596859,
"formula_full": "H14 Br2 O6",
"formula_reduced": "H7BrO3",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.6864886004545454,
"spacegroup": 1
}
]
}