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=-nelements&page=169",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=167",
"results": [
{
"id": "jvasp-107725",
"created_at": "2022-09-04T14:38:49.324112Z",
"updated_at": "2022-09-04T14:38:49.324132Z",
"structure_string": "Yb2 U1 Se3 O2\n1.0\n3.803495 0.007681 -10.519994\n-0.109562 3.801924 -10.519994\n-0.007447 -0.007681 11.186456\nYb U Se O\n2 1 3 2\ndirect\n0.993162 0.993162 -0.000001 Yb\n0.306172 0.306172 -0.000000 Yb\n0.694662 0.694662 -0.000001 U\n0.863402 0.863402 -0.000001 Se\n0.128114 0.128114 -0.000000 Se\n0.533984 0.533984 -0.000001 Se\n0.740249 0.240250 0.499999 O\n0.240250 0.740250 0.499999 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Yb",
"U",
"Se",
"O"
],
"chemical_system": "O-Se-U-Yb",
"density": 8.78896580902616,
"density_atomic": 0.04964047067461148,
"volume": 161.15882648331907,
"volume_molar": 12.131514222487041,
"formula_full": "Yb2 U1 Se3 O2",
"formula_reduced": "Yb2USe3O2",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 1.6532443124999996,
"spacegroup": 107
},
{
"id": "jvasp-119217",
"created_at": "2022-09-04T14:38:53.263647Z",
"updated_at": "2022-09-04T14:38:53.263679Z",
"structure_string": "Al2 Co3 Ge1 O8\n1.0\n5.073135 0.079807 -2.916865\n-1.618679 4.724668 -3.050993\n-0.002611 -0.079807 5.851905\nAl Co Ge O\n2 3 1 8\ndirect\n0.617550 0.376071 0.241480 Al\n0.134592 0.376071 0.758521 Al\n0.245771 0.745771 0.500000 Co\n0.624780 0.394941 0.770161 Co\n0.624780 0.854619 0.229841 Co\n0.013723 0.013723 0.000000 Ge\n0.876760 0.138931 0.262173 O\n0.876760 0.614587 0.737829 O\n0.889165 0.142724 0.746441 O\n0.396284 0.142724 0.253561 O\n0.377671 0.598602 0.220932 O\n0.377671 0.156740 0.779068 O\n0.344976 0.597250 0.747726 O\n0.849525 0.597250 0.252276 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Al",
"Co",
"Ge",
"O"
],
"chemical_system": "Al-Co-Ge-O",
"density": 5.139857707603453,
"density_atomic": 0.10045048678768774,
"volume": 139.37214689253238,
"volume_molar": 5.995133475787333,
"formula_full": "Al2 Co3 Ge1 O8",
"formula_reduced": "Al2Co3GeO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.809123732142857,
"spacegroup": 44
},
{
"id": "jvasp-116682",
"created_at": "2022-09-04T14:38:44.229764Z",
"updated_at": "2022-09-04T14:38:44.229811Z",
"structure_string": "Lu3 Bi1 Ru4 O14\n1.0\n6.208672 0.000000 3.589653\n-4.142047 5.854628 0.000000\n0.006040 0.004273 7.153647\nLu Bi Ru O\n3 1 4 14\ndirect\n0.250000 0.375000 0.375000 Lu\n0.249999 0.875000 0.375000 Lu\n0.749999 0.375000 0.375000 Lu\n0.749999 0.375000 0.875000 Bi\n0.749999 0.875000 0.375000 Ru\n0.249999 0.875000 0.875001 Ru\n0.249999 0.375000 0.875000 Ru\n0.749999 0.875000 0.875000 Ru\n0.423564 0.211782 0.781876 O\n-0.000554 0.788201 0.212352 O\n-0.000553 0.211245 0.212352 O\n0.576402 0.788201 0.212352 O\n0.493657 0.538217 0.968125 O\n0.493657 0.955440 0.968125 O\n0.923597 0.961799 0.537648 O\n0.500553 0.961799 0.537648 O\n0.500553 0.538754 0.537648 O\n0.006341 0.794559 0.781876 O\n0.013529 0.506764 0.479707 O\n0.486470 0.243235 0.270294 O\n0.076435 0.538217 0.968125 O\n0.006342 0.211782 0.781876 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Lu",
"Bi",
"Ru",
"O"
],
"chemical_system": "Bi-Lu-O-Ru",
"density": 8.704978310188876,
"density_atomic": 0.08466723662657945,
"volume": 259.8407704863439,
"volume_molar": 7.112716795707349,
"formula_full": "Lu3 Bi1 Ru4 O14",
"formula_reduced": "Lu3Bi(Ru2O7)2",
"formula_anonymous": "AB3C4D14",
"energy_above_hull": 3.174214661363636,
"spacegroup": 166
},
{
"id": "jvasp-112115",
"created_at": "2022-09-04T14:38:44.235275Z",
"updated_at": "2022-09-04T14:38:44.235300Z",
"structure_string": "Cd1 H12 C8 O4\n1.0\n3.702612 -0.144358 0.575068\n-1.034794 4.402592 -0.628361\n-0.144726 1.296573 12.330036\nCd H C O\n1 12 8 4\ndirect\n0.629415 0.562930 0.179050 Cd\n0.747809 0.852521 0.541566 H\n0.947536 0.714182 0.935931 H\n0.413177 0.737775 0.889125 H\n0.852284 0.783108 0.738319 H\n0.328515 0.819409 0.694719 H\n0.930697 0.306710 0.663349 H\n0.223863 0.884813 0.497505 H\n0.035071 0.241151 0.860565 H\n0.511176 0.273496 0.816556 H\n0.845639 0.388111 0.468923 H\n0.311303 0.411772 0.422120 H\n0.406888 0.342909 0.619714 H\n0.348616 0.013207 0.025051 C\n0.225231 0.879313 0.918219 C\n0.231461 0.108604 0.830725 C\n0.130402 0.951826 0.723657 C\n0.027525 0.017396 0.527358 C\n0.033645 0.246607 0.439848 C\n0.910272 0.112586 0.333031 C\n0.128745 0.174240 0.634405 C\n0.254841 0.836937 0.109492 O\n0.709918 0.837931 0.332173 O\n0.003938 0.288773 0.248572 O\n0.549092 0.287812 0.025939 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.3423703346268425,
"density_atomic": 0.1239160691397123,
"volume": 201.7494597235256,
"volume_molar": 4.859854578836088,
"formula_full": "Cd1 H12 C8 O4",
"formula_reduced": "CdH12(C2O)4",
"formula_anonymous": "AB4C8D12",
"energy_above_hull": 4.42185015,
"spacegroup": 2
},
{
"id": "jvasp-112855",
"created_at": "2022-09-04T14:38:44.245526Z",
"updated_at": "2022-09-04T14:38:44.245564Z",
"structure_string": "Li4 Fe4 O4 F8\n1.0\n6.313587 0.048413 0.720526\n0.552512 6.289551 0.720526\n0.001336 0.001233 5.038403\nLi Fe O F\n4 4 4 8\ndirect\n0.770894 0.597799 0.690593 Li\n0.597800 0.770893 0.190593 Li\n0.402201 0.229106 0.809408 Li\n0.229107 0.402200 0.309408 Li\n0.928910 0.071090 0.750000 Fe\n0.242023 0.757977 0.750000 Fe\n0.757978 0.242022 0.250001 Fe\n0.071091 0.928909 0.250001 Fe\n0.020542 0.190304 0.390356 O\n0.190304 0.020541 0.890356 O\n0.809696 0.979458 0.109645 O\n0.979459 0.809695 0.609645 O\n0.522814 0.715790 0.866385 F\n0.873376 0.350262 0.895592 F\n0.715791 0.522812 0.366385 F\n0.350263 0.873375 0.395592 F\n0.649738 0.126624 0.604408 F\n0.284210 0.477187 0.633616 F\n0.126625 0.649737 0.104409 F\n0.477187 0.284209 0.133616 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.879840410064136,
"density_atomic": 0.10003640881637246,
"volume": 199.92720886964406,
"volume_molar": 6.019948967834585,
"formula_full": "Li4 Fe4 O4 F8",
"formula_reduced": "LiFeOF2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.8805719129999999,
"spacegroup": 15
},
{
"id": "jvasp-122520",
"created_at": "2022-09-04T14:38:54.352577Z",
"updated_at": "2022-09-04T14:38:54.352598Z",
"structure_string": "Li3 V4 Sn1 O12\n1.0\n5.045633 0.004329 0.026302\n0.026177 5.347863 0.470498\n-0.031332 -0.012272 7.405841\nLi V Sn O\n3 4 1 12\ndirect\n0.501311 0.933934 0.211865 Li\n0.995759 0.425158 0.211579 Li\n0.502091 0.940527 0.720400 Li\n0.985394 0.977724 0.010866 V\n0.509157 0.522614 0.485478 V\n0.013582 0.008403 0.484226 V\n0.483389 0.493515 0.017461 V\n0.000641 0.422929 0.717149 Sn\n0.313164 0.224442 0.079918 O\n0.184476 0.339478 0.461820 O\n0.820134 0.349415 0.961522 O\n0.373592 0.544378 0.766647 O\n0.618708 0.538768 0.260091 O\n0.883050 0.028640 0.258995 O\n0.804197 0.722604 0.583770 O\n0.689330 0.843110 0.959431 O\n0.121441 0.044788 0.772137 O\n0.701891 0.230262 0.580601 O\n0.194348 0.718800 0.073537 O\n0.304347 0.831312 0.452903 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"V",
"Sn",
"O"
],
"chemical_system": "Li-O-Sn-V",
"density": 4.4473208973101,
"density_atomic": 0.10006651496528195,
"volume": 199.8670584954317,
"volume_molar": 6.0181377977332176,
"formula_full": "Li3 V4 Sn1 O12",
"formula_reduced": "Li3V4SnO12",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.969779525,
"spacegroup": 1
},
{
"id": "jvasp-111928",
"created_at": "2022-09-04T14:38:39.466683Z",
"updated_at": "2022-09-04T14:38:39.466703Z",
"structure_string": "Li8 Mn4 O8 F4\n1.0\n5.119867 0.052607 -0.710409\n-2.524027 4.345889 0.289626\n0.016098 -0.144703 9.676202\nLi Mn O F\n8 4 8 4\ndirect\n0.187087 0.862800 0.506230 Li\n-0.000000 0.500000 0.000000 Li\n0.064494 0.138932 0.251812 Li\n0.678077 0.875864 0.992157 Li\n0.500000 0.500000 0.500000 Li\n0.321924 0.124139 0.007843 Li\n0.935506 0.861069 0.748188 Li\n0.812914 0.137201 0.493770 Li\n0.577354 0.155712 0.750453 Mn\n0.751411 0.491519 0.249352 Mn\n0.248590 0.508482 0.750648 Mn\n0.422647 0.844290 0.249547 Mn\n0.057768 0.805436 0.148232 O\n0.289929 0.818208 0.872579 O\n0.521872 0.828556 0.635538 O\n0.254610 0.195528 0.643822 O\n0.745391 0.804473 0.356178 O\n0.478129 0.171445 0.364462 O\n0.710072 0.181794 0.127422 O\n0.942233 0.194566 0.851768 O\n0.352444 0.487617 0.118418 F\n0.124043 0.468635 0.389665 F\n0.647557 0.512385 0.881582 F\n0.875958 0.531366 0.610335 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.6744476796343113,
"density_atomic": 0.1108089602227746,
"volume": 216.58898298250858,
"volume_molar": 5.434705594107963,
"formula_full": "Li8 Mn4 O8 F4",
"formula_reduced": "Li2MnO2F",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.5220640873132187,
"spacegroup": 2
},
{
"id": "jvasp-107552",
"created_at": "2022-09-04T14:38:49.277288Z",
"updated_at": "2022-09-04T14:38:49.277314Z",
"structure_string": "La2 Ti2 N2 O4\n1.0\n4.872893 0.001944 -2.719560\n-1.667702 4.565327 -2.741835\n0.001789 -0.001944 5.580420\nLa Ti N O\n2 2 2 4\ndirect\n0.992354 0.750000 0.742354 La\n0.507647 0.250000 0.757647 La\n0.250000 0.519400 0.269400 Ti\n0.750000 0.980600 0.230601 Ti\n0.964087 0.714087 0.250000 N\n0.535913 0.785914 0.750001 N\n0.424366 0.750000 0.174366 O\n0.075635 0.250000 0.325635 O\n0.953892 0.203892 0.750000 O\n0.546107 0.296107 0.250000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"La",
"Ti",
"N",
"O"
],
"chemical_system": "La-N-O-Ti",
"density": 6.226959825333631,
"density_atomic": 0.08054806171731631,
"volume": 124.14948028290281,
"volume_molar": 7.476456455444853,
"formula_full": "La2 Ti2 N2 O4",
"formula_reduced": "LaTiNO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 2.746968716666668,
"spacegroup": 24
},
{
"id": "jvasp-109488",
"created_at": "2022-09-04T14:38:49.267057Z",
"updated_at": "2022-09-04T14:38:49.267078Z",
"structure_string": "K1 Rb2 Gd1 Cl6\n1.0\n6.798114 -0.000000 3.924893\n2.266038 6.409323 3.924893\n-0.000000 -0.000000 7.849786\nK Rb Gd Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Gd\n0.761805 0.238194 0.238194 Cl\n0.238194 0.238194 0.761806 Cl\n0.238195 0.761805 0.761806 Cl\n0.238195 0.761805 0.238194 Cl\n0.761805 0.238194 0.761806 Cl\n0.761806 0.761805 0.238194 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Gd",
"Cl"
],
"chemical_system": "Cl-Gd-K-Rb",
"density": 2.815918589184606,
"density_atomic": 0.029237590633117896,
"volume": 342.0254468120515,
"volume_molar": 20.597253842040672,
"formula_full": "K1 Rb2 Gd1 Cl6",
"formula_reduced": "KRb2GdCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.2926045904999996,
"spacegroup": 225
},
{
"id": "jvasp-116607",
"created_at": "2022-09-04T14:38:44.267180Z",
"updated_at": "2022-09-04T14:38:44.267210Z",
"structure_string": "Na2 Fe4 Pb2 F18\n1.0\n7.135892 -0.090875 0.167890\n-3.518692 6.208705 0.167890\n-0.049986 -0.084543 7.640801\nNa Fe Pb F\n2 4 2 18\ndirect\n0.500000 -0.000000 0.000000 Na\n-0.000000 0.500000 0.500000 Na\n-0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 -0.000000 0.500000 Fe\n-0.000000 0.500000 0.000000 Fe\n0.472894 0.527105 0.750000 Pb\n0.527105 0.472894 0.250000 Pb\n0.305960 0.223539 0.983879 F\n0.694039 0.776460 0.016120 F\n0.274820 0.582290 0.075129 F\n0.725179 0.417709 0.924870 F\n0.417709 0.725179 0.424871 F\n0.582290 0.274820 0.575129 F\n0.907463 0.524769 0.222400 F\n0.092537 0.475230 0.777600 F\n0.970362 0.029636 0.750000 F\n0.524769 0.907462 0.722400 F\n0.029637 0.970362 0.250000 F\n0.223538 0.305960 0.483880 F\n0.897175 0.206284 0.050275 F\n0.102824 0.793715 0.949725 F\n0.793715 0.102823 0.449725 F\n0.206284 0.897175 0.550275 F\n0.475230 0.092537 0.277600 F\n0.776461 0.694038 0.516120 F\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Na",
"Fe",
"Pb",
"F"
],
"chemical_system": "F-Fe-Na-Pb",
"density": 5.064965118431416,
"density_atomic": 0.07731563274913526,
"volume": 336.28386751178465,
"volume_molar": 7.789033790281377,
"formula_full": "Na2 Fe4 Pb2 F18",
"formula_reduced": "NaFe2PbF9",
"formula_anonymous": "ABC2D9",
"energy_above_hull": 0.2965548740384614,
"spacegroup": 15
},
{
"id": "jvasp-116667",
"created_at": "2022-09-04T14:38:44.273542Z",
"updated_at": "2022-09-04T14:38:44.273570Z",
"structure_string": "Na1 Li3 V4 O12\n1.0\n6.499923 0.061950 1.773873\n0.547235 6.477142 1.773873\n0.019981 0.018541 5.862891\nNa Li V O\n1 3 4 12\ndirect\n0.713444 0.286556 -0.000000 Na\n0.921292 0.078707 0.500000 Li\n0.088809 0.911190 -0.000000 Li\n0.272270 0.727729 0.500000 Li\n0.806725 0.618355 0.503387 V\n0.381644 0.193274 0.496613 V\n0.191346 0.379768 0.996589 V\n0.620231 0.808653 0.003410 V\n0.224970 0.000771 0.590448 O\n0.999228 0.775029 0.409551 O\n0.656420 0.635172 0.803543 O\n0.364827 0.343579 0.196456 O\n0.333377 0.377566 0.687994 O\n0.625829 0.093358 0.456795 O\n0.384170 0.930545 0.025284 O\n0.069454 0.615829 0.974716 O\n0.019838 0.202960 0.104232 O\n0.906641 0.374170 0.543204 O\n0.622433 0.666622 0.312005 O\n0.797038 0.980161 0.895767 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Na",
"Li",
"V",
"O"
],
"chemical_system": "Li-Na-O-V",
"density": 2.964632508153216,
"density_atomic": 0.08123106915755933,
"volume": 246.21121213124903,
"volume_molar": 7.413592880723006,
"formula_full": "Na1 Li3 V4 O12",
"formula_reduced": "NaLi3V4O12",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.89279139,
"spacegroup": 5
},
{
"id": "jvasp-119303",
"created_at": "2022-09-04T14:38:50.507206Z",
"updated_at": "2022-09-04T14:38:50.507236Z",
"structure_string": "Ti12 Al8 Ni4 O4\n1.0\n6.956696 -0.000000 4.016450\n2.318899 6.558836 4.016450\n-0.000000 -0.000000 8.032900\nTi Al Ni O\n12 8 4 4\ndirect\n0.565287 0.934714 0.565286 Ti\n0.315287 0.684714 0.684713 Ti\n0.684714 0.315287 0.315286 Ti\n0.315287 0.684714 0.315286 Ti\n0.684714 0.684714 0.315286 Ti\n0.315287 0.315287 0.684713 Ti\n0.565287 0.565287 0.934713 Ti\n0.934714 0.565287 0.565286 Ti\n0.565287 0.934714 0.934713 Ti\n0.934714 0.934714 0.565286 Ti\n0.684714 0.315287 0.684713 Ti\n0.934714 0.565287 0.934713 Ti\n0.916818 0.916818 0.916817 Al\n0.000452 0.333182 0.333182 Al\n0.333182 0.333182 0.000452 Al\n0.333182 0.000452 0.333182 Al\n0.249548 0.916818 0.916817 Al\n0.916818 0.249548 0.916817 Al\n0.333182 0.333182 0.333182 Al\n0.916818 0.916818 0.249547 Al\n0.125000 0.125000 0.125000 Ni\n0.625000 0.125000 0.125000 Ni\n0.125000 0.625000 0.125000 Ni\n0.125000 0.125000 0.625000 Ni\n0.625000 0.125000 0.625000 O\n0.625000 0.625000 0.625000 O\n0.125000 0.625000 0.625000 O\n0.625000 0.625000 0.125000 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ti",
"Al",
"Ni",
"O"
],
"chemical_system": "Al-Ni-O-Ti",
"density": 4.933848272149587,
"density_atomic": 0.07639340599747717,
"volume": 366.5237808735047,
"volume_molar": 7.88306357252729,
"formula_full": "Ti12 Al8 Ni4 O4",
"formula_reduced": "Ti3Al2NiO",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 2.8079266428571428,
"spacegroup": 227
}
]
}