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=-energy_above_hull&page=716",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=714",
"results": [
{
"id": "jvasp-28792",
"created_at": "2022-09-04T14:37:39.971864Z",
"updated_at": "2022-09-04T14:37:39.971892Z",
"structure_string": "Te2 Mo4 Se2 S4\n1.0\n3.312547 0.000004 0.000013\n-1.656270 2.868749 -0.000013\n0.000212 -0.000062 35.388472\nTe Mo Se S\n2 4 2 4\ndirect\n0.666657 0.333315 0.410701 Te\n0.666635 0.333302 0.519051 Te\n0.333390 0.666727 0.101015 Mo\n0.333312 0.666643 0.464904 Mo\n0.666693 0.333354 0.274336 Mo\n0.666602 0.333270 0.662695 Mo\n0.333273 0.666621 0.710076 Se\n0.333273 0.666600 0.615230 Se\n0.333356 0.666688 0.317523 S\n0.666725 0.333389 0.057843 S\n0.666715 0.333387 0.144217 S\n0.333372 0.666702 0.231158 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te",
"density": 4.568144593037584,
"density_atomic": 0.035683260601611144,
"volume": 336.29213804128045,
"volume_molar": 16.87665493138285,
"formula_full": "Te2 Mo4 Se2 S4",
"formula_reduced": "TeMo2SeS2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.235423822222222,
"spacegroup": 156
},
{
"id": "jvasp-28747",
"created_at": "2022-09-04T14:38:36.206256Z",
"updated_at": "2022-09-04T14:38:36.206275Z",
"structure_string": "Te2 Mo4 Se2 S4\n1.0\n3.312663 0.000000 0.000000\n-1.656331 2.868847 -0.000061\n0.000000 -0.000995 35.876017\nTe Mo Se S\n2 4 2 4\ndirect\n0.666649 0.333299 0.417142 Te\n0.666712 0.333425 0.524057 Te\n0.333280 0.666560 0.098212 Mo\n0.333348 0.666696 0.470588 Mo\n0.666616 0.333234 0.275496 Mo\n0.666755 0.333509 0.658622 Mo\n0.333289 0.666579 0.322284 Se\n0.333280 0.666559 0.228699 Se\n0.333426 0.666853 0.701172 S\n0.666609 0.333216 0.055638 S\n0.666619 0.333236 0.140819 S\n0.333415 0.666831 0.616018 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te",
"density": 4.505756222571018,
"density_atomic": 0.03519592478363784,
"volume": 340.9485636126446,
"volume_molar": 17.110335349959666,
"formula_full": "Te2 Mo4 Se2 S4",
"formula_reduced": "TeMo2SeS2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.235382155555555,
"spacegroup": 156
},
{
"id": "jvasp-63804",
"created_at": "2022-09-04T14:35:48.954931Z",
"updated_at": "2022-09-04T14:35:48.954957Z",
"structure_string": "Pr2 Al6 B8 O24\n1.0\n4.720697 3.660493 -0.007885\n-4.720697 3.660493 -0.007885\n0.000000 2.608644 10.905806\nPr Al B O\n2 6 8 24\ndirect\n0.962379 0.037619 0.750001 Pr\n0.037619 0.962379 0.250001 Pr\n0.693752 0.195096 0.028547 Al\n0.804902 0.306247 0.471454 Al\n0.589590 0.410409 0.250001 Al\n0.195096 0.693751 0.528547 Al\n0.306247 0.804902 0.971454 Al\n0.410408 0.589589 0.750001 Al\n0.122562 0.491714 0.222107 B\n0.508285 0.877437 0.277894 B\n0.877436 0.508284 0.777894 B\n0.491714 0.122562 0.722108 B\n0.776904 0.718988 0.006039 B\n0.281010 0.223095 0.493962 B\n0.223094 0.281010 0.993962 B\n0.718988 0.776903 0.506040 B\n0.492970 0.696628 0.574466 O\n0.897895 0.422801 0.294531 O\n0.577197 0.102104 0.205470 O\n0.102103 0.577197 0.705471 O\n0.002841 0.804531 0.939722 O\n0.997157 0.195468 0.060279 O\n0.804531 0.002841 0.439722 O\n0.303370 0.507027 0.925536 O\n0.195467 0.997157 0.560280 O\n0.422801 0.897894 0.794531 O\n0.507028 0.303371 0.425536 O\n0.182576 0.693729 0.136797 O\n0.693729 0.182576 0.636798 O\n0.817422 0.306269 0.863204 O\n0.306270 0.817422 0.363204 O\n0.631965 0.869687 0.996104 O\n0.130311 0.368033 0.503897 O\n0.869687 0.631965 0.496104 O\n0.271291 0.355525 0.242824 O\n0.644474 0.728708 0.257177 O\n0.728707 0.644473 0.757177 O\n0.355525 0.271291 0.742824 O\n0.696628 0.492971 0.074466 O\n0.368034 0.130311 0.003897 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Pr",
"Al",
"B",
"O"
],
"chemical_system": "Al-B-O-Pr",
"density": 4.025526984696188,
"density_atomic": 0.10607250077604648,
"volume": 377.1005652487915,
"volume_molar": 5.677381711509467,
"formula_full": "Pr2 Al6 B8 O24",
"formula_reduced": "PrAl3(BO3)4",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 3.235332029166667,
"spacegroup": 15
},
{
"id": "jvasp-88448",
"created_at": "2022-09-04T14:35:57.564459Z",
"updated_at": "2022-09-04T14:35:57.564481Z",
"structure_string": "Ce6 P17 Pd6\n1.0\n8.437125 -0.000000 -2.982974\n-4.218563 7.306766 -2.982974\n0.000000 0.000000 8.948924\nCe P Pd\n6 17 6\ndirect\n0.000000 0.284657 0.284657 Ce\n0.715343 -0.000000 0.715343 Ce\n0.284657 -0.000000 0.284657 Ce\n0.284658 0.284657 0.000000 Ce\n0.715344 0.715343 0.000001 Ce\n0.000000 0.715343 0.715343 Ce\n0.000000 0.578256 0.000001 P\n0.578256 0.000000 0.000000 P\n0.421745 0.421745 0.421745 P\n0.214130 0.214130 0.573643 P\n0.640487 0.426358 0.640487 P\n0.426358 0.640487 0.640487 P\n0.000000 0.359513 0.785871 P\n0.359513 -0.000000 0.785870 P\n0.785871 -0.000000 0.359514 P\n0.214130 0.573643 0.214130 P\n0.785871 0.359513 0.000001 P\n0.000000 0.785871 0.359514 P\n-0.000000 -0.000000 0.578255 P\n0.359514 0.785871 0.000001 P\n0.640488 0.640487 0.426358 P\n0.573643 0.214130 0.214130 P\n0.000000 0.000000 0.000000 P\n0.500001 0.750000 0.250001 Pd\n0.250001 0.750000 0.500001 Pd\n0.750001 0.250000 0.500001 Pd\n0.250000 0.500000 0.750000 Pd\n0.750001 0.500000 0.250001 Pd\n0.500000 0.250000 0.750000 Pd\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Ce",
"P",
"Pd"
],
"chemical_system": "Ce-P-Pd",
"density": 6.037257732059723,
"density_atomic": 0.05256631042860674,
"volume": 551.68414453182,
"volume_molar": 11.456274391140708,
"formula_full": "Ce6 P17 Pd6",
"formula_reduced": "Ce6P17Pd6",
"formula_anonymous": "A6B6C17",
"energy_above_hull": 3.2352634724137936,
"spacegroup": 217
},
{
"id": "jvasp-12373",
"created_at": "2022-09-04T14:38:13.413242Z",
"updated_at": "2022-09-04T14:38:13.413269Z",
"structure_string": "Cr4 Co2 S8\n1.0\n5.979248 -0.000000 3.452121\n1.993083 5.637290 3.452121\n-0.000000 -0.000000 6.904241\nCr Co S\n4 2 8\ndirect\n0.500000 0.500000 -0.000000 Cr\n-0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 0.500000 Cr\n0.125000 0.125000 0.125000 Co\n0.875000 0.875000 0.875000 Co\n0.732788 0.255737 0.255737 S\n0.267212 0.744263 0.744263 S\n0.744262 0.744263 0.744263 S\n0.255737 0.255737 0.732788 S\n0.744263 0.267212 0.744262 S\n0.255737 0.732788 0.255737 S\n0.744262 0.744263 0.267212 S\n0.255737 0.255737 0.255737 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cr",
"Co",
"S"
],
"chemical_system": "Co-Cr-S",
"density": 4.155428318448156,
"density_atomic": 0.06015824379620072,
"volume": 232.71955955742456,
"volume_molar": 10.0104996090001,
"formula_full": "Cr4 Co2 S8",
"formula_reduced": "Cr2CoS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.234917957142857,
"spacegroup": 227
},
{
"id": "jvasp-85919",
"created_at": "2022-09-04T14:36:11.469325Z",
"updated_at": "2022-09-04T14:36:11.469352Z",
"structure_string": "K2 C2 Br2 N4 O8\n1.0\n5.994702 0.084599 -1.465926\n-1.491209 6.126778 -3.152767\n0.007444 0.003866 7.375603\nK C Br N O\n2 2 2 4 8\ndirect\n0.327966 0.278909 0.127384 K\n0.672033 0.721092 0.872615 K\n0.952538 0.243067 0.537866 C\n0.047461 0.756934 0.462133 C\n0.796733 0.203491 0.711265 Br\n0.203266 0.796510 0.288734 Br\n0.822491 0.638321 0.369386 N\n0.177509 0.361680 0.630613 N\n0.834137 0.158854 0.323780 N\n0.165862 0.841147 0.676219 N\n0.272857 0.421516 0.825496 O\n0.714941 0.587825 0.473385 O\n0.727142 0.578485 0.174503 O\n0.371865 0.945611 0.741789 O\n0.628134 0.054390 0.258210 O\n0.285059 0.412176 0.526614 O\n0.924642 0.179002 0.194291 O\n0.075357 0.820999 0.805708 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"K",
"C",
"Br",
"N",
"O"
],
"chemical_system": "Br-C-K-N-O",
"density": 2.7233936779105896,
"density_atomic": 0.06618388187390349,
"volume": 271.9695413800963,
"volume_molar": 9.099104781242136,
"formula_full": "K2 C2 Br2 N4 O8",
"formula_reduced": "KCBr(NO2)2",
"formula_anonymous": "ABCD2E4",
"energy_above_hull": 3.234845845,
"spacegroup": 2
},
{
"id": "jvasp-86518",
"created_at": "2022-09-04T14:36:00.005456Z",
"updated_at": "2022-09-04T14:36:00.005493Z",
"structure_string": "K2 C2 Br2 N4 O8\n1.0\n5.995790 0.083509 -1.465510\n-1.492728 6.129076 -3.152932\n0.007715 0.003278 7.374639\nK C Br N O\n2 2 2 4 8\ndirect\n0.328022 0.278892 0.127350 K\n0.671977 0.721109 0.872650 K\n0.952559 0.243085 0.537849 C\n0.047441 0.756917 0.462152 C\n0.796815 0.203473 0.711292 Br\n0.203184 0.796528 0.288709 Br\n0.822474 0.638335 0.369422 N\n0.177525 0.361666 0.630578 N\n0.834137 0.158926 0.323753 N\n0.165862 0.841075 0.676248 N\n0.272900 0.421441 0.825464 O\n0.714947 0.587805 0.473432 O\n0.727099 0.578560 0.174537 O\n0.371862 0.945516 0.741801 O\n0.628137 0.054485 0.258199 O\n0.285052 0.412196 0.526569 O\n0.924616 0.179103 0.194245 O\n0.075383 0.820898 0.805756 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"K",
"C",
"Br",
"N",
"O"
],
"chemical_system": "Br-C-K-N-O",
"density": 2.7224506667368464,
"density_atomic": 0.06616096482719261,
"volume": 272.06374706013776,
"volume_molar": 9.102256558273254,
"formula_full": "K2 C2 Br2 N4 O8",
"formula_reduced": "KCBr(NO2)2",
"formula_anonymous": "ABCD2E4",
"energy_above_hull": 3.234801400555555,
"spacegroup": 2
},
{
"id": "jvasp-44678",
"created_at": "2022-09-04T14:38:07.636269Z",
"updated_at": "2022-09-04T14:38:07.636300Z",
"structure_string": "Mn3 Ni1 O8\n1.0\n-0.000000 4.037935 4.037935\n4.037935 0.000000 4.037935\n4.007410 4.007410 0.030524\nMn Ni O\n3 1 8\ndirect\n0.499999 -0.000000 0.500000 Mn\n0.499999 0.499999 0.500000 Mn\n-0.000000 0.499999 0.500000 Mn\n0.499999 0.499999 0.000000 Ni\n0.264557 0.264557 0.262323 O\n0.708562 0.264557 0.262323 O\n0.264557 0.708562 0.262323 O\n0.262384 0.262384 0.712845 O\n0.737614 0.737614 0.287155 O\n0.735441 0.291437 0.737678 O\n0.291437 0.735441 0.737678 O\n0.735441 0.735441 0.737678 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mn",
"Ni",
"O"
],
"chemical_system": "Mn-Ni-O",
"density": 4.4835552885327346,
"density_atomic": 0.09217772167417373,
"volume": 130.18330006481543,
"volume_molar": 6.533184646596964,
"formula_full": "Mn3 Ni1 O8",
"formula_reduced": "Mn3NiO8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.234593510344828,
"spacegroup": 166
},
{
"id": "jvasp-110319",
"created_at": "2022-09-04T14:37:54.275773Z",
"updated_at": "2022-09-04T14:37:54.275798Z",
"structure_string": "W2 O6\n1.0\n3.884838 -0.005792 0.000000\n-0.006955 3.884836 0.000000\n-0.000000 0.000000 7.552760\nW O\n2 6\ndirect\n0.554031 0.445969 0.750000 W\n0.445968 0.554032 0.250000 W\n0.500000 0.500001 0.500000 O\n0.500000 0.500001 -0.000000 O\n0.481682 0.017267 0.250000 O\n0.982733 0.518319 0.250000 O\n0.518317 0.982735 0.750000 O\n0.017266 0.481682 0.750000 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"W",
"O"
],
"chemical_system": "O-W",
"density": 6.754822809973956,
"density_atomic": 0.07018428159738907,
"volume": 113.98563635504405,
"volume_molar": 8.580469334353108,
"formula_full": "W2 O6",
"formula_reduced": "WO3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.234462625,
"spacegroup": 63
},
{
"id": "jvasp-88071",
"created_at": "2022-09-04T14:35:59.569841Z",
"updated_at": "2022-09-04T14:35:59.569873Z",
"structure_string": "Pr2 P2 H10 C2 O14\n1.0\n6.699871 0.063684 -0.503124\n-0.272937 6.667030 -2.412910\n0.118396 0.048689 7.501889\nPr P H C O\n2 2 10 2 14\ndirect\n0.133050 0.228159 0.941345 Pr\n0.866950 0.771841 0.058655 Pr\n0.670042 0.251533 0.018074 P\n0.329958 0.748466 0.981926 P\n0.561877 0.164676 0.438712 H\n0.438123 0.835323 0.561289 H\n0.712962 0.665670 0.619891 H\n0.287038 0.334329 0.380109 H\n0.833978 0.479843 0.655761 H\n0.606324 0.280214 0.200249 H\n0.166022 0.520157 0.344240 H\n0.469644 0.242174 0.637780 H\n0.393675 0.719785 0.799751 H\n0.530356 0.757825 0.362220 H\n0.934533 0.089078 0.498265 C\n0.065467 0.910921 0.501735 C\n0.817253 0.425334 0.034711 O\n0.823859 0.066994 0.350458 O\n0.176141 0.933005 0.649543 O\n0.443358 0.227582 0.502742 O\n0.799258 0.622419 0.712129 O\n0.200742 0.377581 0.287872 O\n0.203407 0.939468 0.043159 O\n0.483828 0.239554 0.887653 O\n0.796593 0.060531 0.956842 O\n0.947289 0.243523 0.644964 O\n0.516172 0.760446 0.112348 O\n0.182747 0.574666 0.965289 O\n0.556642 0.772417 0.497258 O\n0.052711 0.756476 0.355036 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
"Pr",
"P",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-P-Pr",
"density": 2.9708861524807766,
"density_atomic": 0.08917972571269155,
"volume": 336.39933023174314,
"volume_molar": 6.752813727417601,
"formula_full": "Pr2 P2 H10 C2 O14",
"formula_reduced": "PrPH5CO7",
"formula_anonymous": "ABCD5E7",
"energy_above_hull": 3.2343346566666678,
"spacegroup": 2
},
{
"id": "jvasp-71149",
"created_at": "2022-09-04T14:36:09.970391Z",
"updated_at": "2022-09-04T14:36:09.970416Z",
"structure_string": "Be2 Re1 Pt1\n1.0\n4.124391 0.000000 0.000000\n0.000000 4.124391 -0.000000\n0.000000 0.000000 2.706205\nBe Re Pt\n2 1 1\ndirect\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.000000 0.000000 0.500001 Re\n0.500000 0.500000 0.500001 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Re",
"Pt"
],
"chemical_system": "Be-Pt-Re",
"density": 14.404054792102452,
"density_atomic": 0.08689196892786737,
"volume": 46.034173806333776,
"volume_molar": 6.930606860801175,
"formula_full": "Be2 Re1 Pt1",
"formula_reduced": "Be2RePt",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.2343104,
"spacegroup": 123
},
{
"id": "jvasp-52215",
"created_at": "2022-09-04T14:36:19.734954Z",
"updated_at": "2022-09-04T14:36:19.734985Z",
"structure_string": "Zr2 Ti4 O2\n1.0\n2.471149 4.020153 0.000000\n-2.471149 4.020153 0.000000\n0.000000 0.000000 6.058616\nZr Ti O\n2 4 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.337305 0.337305 0.254547 Ti\n0.337305 0.337305 0.745453 Ti\n0.662694 0.662694 0.745453 Ti\n0.662694 0.662694 0.254547 Ti\n-0.000000 0.500000 0.000000 O\n0.500000 -0.000000 0.000000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"Ti",
"O"
],
"chemical_system": "O-Ti-Zr",
"density": 5.599368457531203,
"density_atomic": 0.06645766063225084,
"volume": 120.3773940263815,
"volume_molar": 9.061620139360658,
"formula_full": "Zr2 Ti4 O2",
"formula_reduced": "ZrTi2O",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.234266166666666,
"spacegroup": 65
}
]
}