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=formula_anonymous&page=362",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=360",
"results": [
{
"id": "jvasp-91334",
"created_at": "2022-09-04T14:36:17.959308Z",
"updated_at": "2022-09-04T14:36:17.959339Z",
"structure_string": "Cu4 Bi5 S10\n1.0\n3.903982 -0.000000 -0.000000\n-1.951991 8.366186 -2.713180\n-0.000000 0.024426 12.935025\nCu Bi S\n4 5 10\ndirect\n0.711494 0.422987 0.057341 Cu\n0.288507 0.577014 0.942659 Cu\n0.902970 0.805941 0.485405 Cu\n0.097030 0.194060 0.514595 Cu\n0.000000 0.000000 0.000000 Bi\n0.804084 0.608168 0.663995 Bi\n0.410885 0.821770 0.224196 Bi\n0.589115 0.178231 0.775804 Bi\n0.195916 0.391833 0.336005 Bi\n0.021963 0.043925 0.633719 S\n0.760246 0.520491 0.241462 S\n0.239754 0.479510 0.758538 S\n0.335180 0.670361 0.497142 S\n0.664820 0.329640 0.502858 S\n0.846805 0.693612 0.028178 S\n0.153195 0.306389 0.971822 S\n0.978037 0.956076 0.366281 S\n0.455932 0.911864 0.832283 S\n0.544068 0.088137 0.167717 S\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Cu",
"Bi",
"S"
],
"chemical_system": "Bi-Cu-S",
"density": 6.362456944085118,
"density_atomic": 0.044945387080935456,
"volume": 422.7352623704348,
"volume_molar": 13.398796074790997,
"formula_full": "Cu4 Bi5 S10",
"formula_reduced": "Cu4(BiS2)5",
"formula_anonymous": "A4B5C10",
"energy_above_hull": 1.424574910526316,
"spacegroup": 12
},
{
"id": "jvasp-48220",
"created_at": "2022-09-04T14:38:06.188132Z",
"updated_at": "2022-09-04T14:38:06.188146Z",
"structure_string": "Li4 Cr5 O10\n1.0\n5.017248 0.011690 0.004042\n-1.665702 5.617130 -0.045123\n-0.837315 -1.833885 6.207076\nLi Cr O\n4 5 10\ndirect\n0.597881 0.189524 0.190598 Li\n0.807705 0.616105 0.614715 Li\n0.192296 0.383895 0.385286 Li\n0.402121 0.810475 0.809402 Li\n0.800944 0.102889 0.608169 Cr\n0.393213 0.299243 0.803764 Cr\n0.606789 0.700756 0.196237 Cr\n0.000000 0.500000 0.000000 Cr\n0.199058 0.897110 0.391832 Cr\n0.506812 0.768608 0.488642 O\n0.313429 0.373321 0.095359 O\n0.906396 0.562488 0.292739 O\n0.093605 0.437511 0.707261 O\n0.691035 0.167559 0.890754 O\n0.493189 0.231391 0.511359 O\n0.894777 0.033848 0.320019 O\n0.105225 0.966151 0.679982 O\n0.686572 0.626678 0.904641 O\n0.308966 0.832440 0.109247 O\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Li",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O",
"density": 4.256558986997855,
"density_atomic": 0.10877741142525107,
"volume": 174.66861686680502,
"volume_molar": 5.5362052480337365,
"formula_full": "Li4 Cr5 O10",
"formula_reduced": "Li4Cr5O10",
"formula_anonymous": "A4B5C10",
"energy_above_hull": 3.256459052631578,
"spacegroup": 2
},
{
"id": "jvasp-26716",
"created_at": "2022-09-04T14:37:43.929167Z",
"updated_at": "2022-09-04T14:37:43.929174Z",
"structure_string": "Na4 Ti5 O12\n1.0\n2.676307 -4.635499 -0.000000\n2.676307 4.635499 0.000000\n0.000000 0.000000 9.594325\nNa Ti O\n4 5 12\ndirect\n0.666668 0.333334 0.388993 Na\n0.333334 0.666668 0.594365 Na\n0.000000 0.000000 0.803626 Na\n0.000000 0.000000 0.179827 Na\n0.333334 0.666668 0.963134 Ti\n0.000000 0.000000 0.491721 Ti\n0.333334 0.666668 0.274261 Ti\n0.666668 0.333334 0.020291 Ti\n0.666668 0.333334 0.709166 Ti\n0.332043 0.236261 0.613023 O\n0.572364 0.984226 0.114181 O\n0.095786 0.332047 0.370413 O\n0.667954 0.763741 0.370413 O\n0.015775 0.588138 0.114181 O\n0.588156 0.572374 0.869253 O\n0.763740 0.095783 0.613023 O\n0.984219 0.411846 0.869253 O\n0.411863 0.427638 0.114181 O\n0.427627 0.015782 0.869253 O\n0.904218 0.667959 0.613023 O\n0.236261 0.904215 0.370413 O\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Na",
"Ti",
"O"
],
"chemical_system": "Na-O-Ti",
"density": 3.6501616510425334,
"density_atomic": 0.08821500266662374,
"volume": 238.0547453970137,
"volume_molar": 6.82666278746085,
"formula_full": "Na4 Ti5 O12",
"formula_reduced": "Na4Ti5O12",
"formula_anonymous": "A4B5C12",
"energy_above_hull": 2.5908237936507934,
"spacegroup": 147
},
{
"id": "jvasp-104028",
"created_at": "2022-09-04T14:36:34.114477Z",
"updated_at": "2022-09-04T14:36:34.114495Z",
"structure_string": "H12 C5 O4\n1.0\n5.251365 0.133731 -2.787469\n-1.841059 4.919881 -2.787469\n-0.090245 -0.133731 5.944635\nH C O\n12 5 4\ndirect\n0.948638 0.116872 0.687509 H\n0.734270 0.405482 0.131340 H\n0.397070 0.265731 0.671212 H\n0.594518 0.725857 0.328786 H\n0.560990 0.823719 0.756017 H\n0.067701 0.804973 0.243981 H\n0.274142 0.602929 0.868659 H\n0.176281 0.932298 0.737270 H\n0.738873 0.051362 0.168235 H\n0.883128 0.570637 0.831764 H\n0.429362 0.261127 0.312490 H\n0.195027 0.439010 0.262728 H\n0.000000 0.000000 0.000000 C\n0.982588 0.946668 0.711180 C\n0.235487 0.271407 0.288819 C\n0.053332 0.764513 0.035920 C\n0.728593 0.017412 0.964079 C\n0.767805 0.692228 0.430059 O\n0.307772 0.737831 0.075577 O\n0.662253 0.232195 0.924421 O\n0.262169 0.337747 0.569940 O\n",
"nsites": 21,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.495195302317874,
"density_atomic": 0.13888713612846276,
"volume": 151.2019081491909,
"volume_molar": 4.335996066928661,
"formula_full": "H12 C5 O4",
"formula_reduced": "H12C5O4",
"formula_anonymous": "A4B5C12",
"energy_above_hull": 4.243426857142857,
"spacegroup": 82
},
{
"id": "jvasp-55939",
"created_at": "2022-09-04T14:38:08.700528Z",
"updated_at": "2022-09-04T14:38:08.700551Z",
"structure_string": "K4 Zr5 O12\n1.0\n2.929653 -5.074308 -0.000000\n2.929653 5.074308 -0.000000\n-0.000000 0.000000 10.505758\nK Zr O\n4 5 12\ndirect\n0.666667 0.333332 0.386754 K\n0.333332 0.666667 0.613246 K\n0.000000 0.000000 0.177904 K\n0.000000 0.000000 0.822096 K\n0.666667 0.333332 0.716751 Zr\n0.333332 0.666667 0.283249 Zr\n0.666667 0.333332 0.024284 Zr\n0.333332 0.666667 0.975716 Zr\n0.000000 0.000000 0.500000 Zr\n0.164847 0.835151 0.378426 O\n0.835151 0.164847 0.621574 O\n0.835151 0.670302 0.621574 O\n0.329697 0.164848 0.621574 O\n0.490548 0.509451 0.122891 O\n0.509452 0.018904 0.877109 O\n0.490547 0.981094 0.122891 O\n0.509451 0.490548 0.877109 O\n0.670302 0.835151 0.378426 O\n0.981094 0.490547 0.877109 O\n0.018904 0.509452 0.122891 O\n0.164848 0.329697 0.378426 O\n",
"nsites": 21,
"nelements": 3,
"elements": [
"K",
"Zr",
"O"
],
"chemical_system": "K-O-Zr",
"density": 4.276889092300883,
"density_atomic": 0.06723089584049728,
"volume": 312.3563911720245,
"volume_molar": 8.957400737731204,
"formula_full": "K4 Zr5 O12",
"formula_reduced": "K4Zr5O12",
"formula_anonymous": "A4B5C12",
"energy_above_hull": 2.672454595238095,
"spacegroup": 164
},
{
"id": "jvasp-39489",
"created_at": "2022-09-04T14:37:50.737262Z",
"updated_at": "2022-09-04T14:37:50.737288Z",
"structure_string": "K4 Hf5 O12\n1.0\n2.899682 -5.022397 0.000000\n2.899682 5.022397 -0.000000\n-0.000000 0.000000 10.384149\nK Hf O\n4 5 12\ndirect\n0.000000 0.000000 0.676787 K\n0.000000 0.000000 0.323213 K\n0.666667 0.333333 0.886575 K\n0.333333 0.666667 0.113425 K\n0.666667 0.333333 0.523951 Hf\n0.333333 0.666667 0.476049 Hf\n0.000000 0.000000 0.000000 Hf\n0.666667 0.333333 0.216580 Hf\n0.333333 0.666667 0.783420 Hf\n0.509534 0.490465 0.377153 O\n0.490465 0.509534 0.622847 O\n0.490465 0.980930 0.622847 O\n0.019070 0.509534 0.622847 O\n0.329983 0.164992 0.121267 O\n0.164992 0.329983 0.878733 O\n0.835008 0.164992 0.121267 O\n0.164992 0.835008 0.878733 O\n0.509534 0.019070 0.377153 O\n0.670016 0.835008 0.878733 O\n0.835008 0.670016 0.121267 O\n0.980930 0.490465 0.377153 O\n",
"nsites": 21,
"nelements": 3,
"elements": [
"K",
"Hf",
"O"
],
"chemical_system": "Hf-K-O",
"density": 6.812416060663218,
"density_atomic": 0.06943156850628912,
"volume": 302.45607944314,
"volume_molar": 8.67349087678253,
"formula_full": "K4 Hf5 O12",
"formula_reduced": "K4Hf5O12",
"formula_anonymous": "A4B5C12",
"energy_above_hull": 3.021899952380952,
"spacegroup": 164
},
{
"id": "jvasp-34667",
"created_at": "2022-09-04T14:38:31.899788Z",
"updated_at": "2022-09-04T14:38:31.899814Z",
"structure_string": "Ba5 Hf4 S13\n1.0\n4.950425 0.010255 -0.573759\n-0.076774 4.949841 -0.573759\n0.165430 0.168366 23.074064\nBa Hf S\n5 4 13\ndirect\n0.710948 0.710947 0.421882 Ba\n0.607128 0.607127 0.214292 Ba\n0.289052 0.289052 0.578118 Ba\n0.500000 0.499999 -0.000000 Ba\n0.392872 0.392872 0.785707 Ba\n0.833918 0.833918 0.667855 Hf\n0.055090 0.055090 0.110235 Hf\n0.166081 0.166082 0.332145 Hf\n0.944910 0.944910 0.889765 Hf\n0.163081 0.663077 0.326139 S\n0.445505 0.945518 0.890966 S\n0.663077 0.163080 0.326139 S\n0.336923 0.836920 0.673861 S\n0.220673 0.220673 0.441325 S\n0.836919 0.336922 0.673861 S\n0.109677 0.109677 0.219348 S\n0.554495 0.054481 0.109034 S\n0.945518 0.445504 0.890966 S\n0.000000 0.000000 0.000000 S\n0.890323 0.890323 0.780651 S\n0.779327 0.779326 0.558674 S\n0.054482 0.554496 0.109034 S\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"S"
],
"chemical_system": "Ba-Hf-S",
"density": 5.328498964623501,
"density_atomic": 0.038843502835992236,
"volume": 566.375285279753,
"volume_molar": 15.50359859518104,
"formula_full": "Ba5 Hf4 S13",
"formula_reduced": "Ba5Hf4S13",
"formula_anonymous": "A4B5C13",
"energy_above_hull": 2.525546447727273,
"spacegroup": 139
},
{
"id": "jvasp-46799",
"created_at": "2022-09-04T14:38:02.429331Z",
"updated_at": "2022-09-04T14:38:02.429351Z",
"structure_string": "Mn5 Si4 O14\n1.0\n-5.650691 0.000951 -0.177932\n2.338566 7.113670 0.135390\n-0.420018 -3.430371 -7.311468\nMn Si O\n5 4 14\ndirect\n0.000000 0.000000 0.000000 Mn\n0.097862 0.424463 0.793397 Mn\n0.656769 0.571895 0.711880 Mn\n0.343230 0.428105 0.288120 Mn\n0.902137 0.575537 0.206603 Mn\n0.517626 0.211542 0.858421 Si\n0.758183 0.236219 0.379285 Si\n0.241816 0.763781 0.620716 Si\n0.482373 0.788458 0.141579 Si\n0.476695 0.979091 0.686872 O\n0.580950 0.640750 0.203332 O\n0.000757 0.810429 0.745031 O\n0.325422 0.585979 0.647729 O\n0.669714 0.822907 0.980734 O\n0.330285 0.177093 0.019266 O\n0.523305 0.020909 0.313128 O\n-0.000758 0.189571 0.254969 O\n0.419050 0.359250 0.796668 O\n0.165902 0.658717 0.400011 O\n0.834097 0.341283 0.599989 O\n0.812080 0.314914 0.940873 O\n0.674578 0.414021 0.352271 O\n0.187919 0.685086 0.059127 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Mn",
"Si",
"O"
],
"chemical_system": "Mn-O-Si",
"density": 3.472523805001375,
"density_atomic": 0.07871650905398066,
"volume": 292.1877542133825,
"volume_molar": 7.650416453135967,
"formula_full": "Mn5 Si4 O14",
"formula_reduced": "Mn5(Si2O7)2",
"formula_anonymous": "A4B5C14",
"energy_above_hull": 3.6372843307346328,
"spacegroup": 2
},
{
"id": "jvasp-46798",
"created_at": "2022-09-04T14:38:09.036206Z",
"updated_at": "2022-09-04T14:38:09.036237Z",
"structure_string": "Cr5 Si4 O14\n1.0\n5.626462 -0.012913 0.017015\n-2.047842 7.056960 0.013845\n-0.101498 -3.079653 7.144890\nCr Si O\n5 4 14\ndirect\n0.000000 0.000000 0.000000 Cr\n0.077050 0.396232 0.807587 Cr\n0.650866 0.588368 0.699440 Cr\n0.349134 0.411633 0.300561 Cr\n0.922951 0.603769 0.192415 Cr\n0.499615 0.231530 0.863271 Si\n0.777703 0.211394 0.392453 Si\n0.222297 0.788607 0.607549 Si\n0.500385 0.768472 0.136730 Si\n0.459420 0.992256 0.726585 O\n0.589707 0.637417 0.244007 O\n0.997990 0.782323 0.745867 O\n0.329126 0.588710 0.566795 O\n0.677832 0.777350 0.969565 O\n0.322169 0.222651 0.030436 O\n0.540580 0.007746 0.273417 O\n0.002010 0.217679 0.254134 O\n0.410293 0.362585 0.755994 O\n0.208493 0.645783 0.045528 O\n0.791508 0.354219 0.954473 O\n0.876170 0.208740 0.585035 O\n0.670874 0.411291 0.433206 O\n0.123830 0.791262 0.414966 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Cr",
"Si",
"O"
],
"chemical_system": "Cr-O-Si",
"density": 3.4883069082293057,
"density_atomic": 0.0810248709735403,
"volume": 283.8634572773456,
"volume_molar": 7.432459549323571,
"formula_full": "Cr5 Si4 O14",
"formula_reduced": "Cr5(Si2O7)2",
"formula_anonymous": "A4B5C14",
"energy_above_hull": 3.789137408695652,
"spacegroup": 2
},
{
"id": "jvasp-19055",
"created_at": "2022-09-04T14:37:06.390326Z",
"updated_at": "2022-09-04T14:37:06.390362Z",
"structure_string": "Ba5 Nb4 O15\n1.0\n2.936379 -5.085957 0.000000\n2.936379 5.085957 -0.000000\n-0.000000 0.000000 11.923318\nBa Nb O\n5 4 15\ndirect\n0.666667 0.333333 0.428250 Ba\n0.333333 0.666667 0.571750 Ba\n0.666667 0.333333 0.790821 Ba\n0.333333 0.666667 0.209179 Ba\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.105286 Nb\n0.333333 0.666667 0.894714 Nb\n0.000000 0.000000 0.682195 Nb\n0.000000 0.000000 0.317805 Nb\n0.168669 0.337337 0.807199 O\n0.500000 -0.000000 0.000000 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.337337 0.168669 0.192801 O\n0.831332 0.168669 0.192801 O\n0.329529 0.164765 0.611288 O\n0.164765 0.329529 0.388712 O\n0.164765 0.835236 0.388712 O\n0.670471 0.835236 0.388712 O\n0.168669 0.831332 0.807199 O\n0.835236 0.164765 0.611288 O\n0.835236 0.670471 0.611288 O\n0.831332 0.662663 0.192801 O\n0.662663 0.831332 0.807199 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ba",
"Nb",
"O"
],
"chemical_system": "Ba-Nb-O",
"density": 6.053353287741544,
"density_atomic": 0.06739060039407982,
"volume": 356.1327523371994,
"volume_molar": 8.936173182586808,
"formula_full": "Ba5 Nb4 O15",
"formula_reduced": "Ba5Nb4O15",
"formula_anonymous": "A4B5C15",
"energy_above_hull": 2.8956833312499994,
"spacegroup": 164
},
{
"id": "jvasp-46094",
"created_at": "2022-09-04T14:38:06.855854Z",
"updated_at": "2022-09-04T14:38:06.855887Z",
"structure_string": "Sr5 Ta4 O15\n1.0\n2.848185 -4.933200 0.000000\n2.848185 4.933200 0.000000\n0.000000 -0.000000 11.588168\nSr Ta O\n5 4 15\ndirect\n0.333332 0.666666 0.439233 Sr\n0.333332 0.666666 0.777694 Sr\n0.000000 0.000000 0.000000 Sr\n0.666666 0.333332 0.222306 Sr\n0.666666 0.333332 0.560767 Sr\n0.333332 0.666666 0.104897 Ta\n0.000000 0.000000 0.318532 Ta\n0.000000 0.000000 0.681468 Ta\n0.666666 0.333332 0.895103 Ta\n0.830679 0.661360 0.391811 O\n0.835244 0.670489 0.806792 O\n0.500000 -0.000000 0.000000 O\n0.661360 0.830679 0.608189 O\n0.329509 0.164754 0.806792 O\n0.499999 0.499999 0.000000 O\n0.164754 0.835244 0.193208 O\n0.338638 0.169319 0.391811 O\n0.169319 0.338638 0.608189 O\n0.164754 0.329509 0.193208 O\n0.835244 0.164754 0.806792 O\n-0.000000 0.500000 0.000000 O\n0.169319 0.830680 0.608189 O\n0.670489 0.835244 0.193208 O\n0.830680 0.169319 0.391811 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sr",
"Ta",
"O"
],
"chemical_system": "O-Sr-Ta",
"density": 7.148567492538119,
"density_atomic": 0.07370034919154599,
"volume": 325.6429618484493,
"volume_molar": 8.171115640644464,
"formula_full": "Sr5 Ta4 O15",
"formula_reduced": "Sr5Ta4O15",
"formula_anonymous": "A4B5C15",
"energy_above_hull": 3.06247586875,
"spacegroup": 164
},
{
"id": "jvasp-52123",
"created_at": "2022-09-04T14:37:09.503639Z",
"updated_at": "2022-09-04T14:37:09.503661Z",
"structure_string": "Ni5 P4 O16\n1.0\n5.001789 0.020065 -0.027419\n-1.439046 7.643257 0.024772\n-0.113171 -3.062508 7.437238\nNi P O\n5 4 16\ndirect\n0.894761 0.761906 0.234287 Ni\n0.347400 0.595150 0.322220 Ni\n0.652600 0.404851 0.677779 Ni\n0.000000 0.000000 -0.000000 Ni\n0.105239 0.238095 0.765713 Ni\n0.152462 0.209558 0.427142 P\n0.619944 0.297396 0.030962 P\n0.380056 0.702605 0.969038 P\n0.847538 0.790443 0.572858 P\n0.740852 0.624335 0.622599 O\n0.917464 0.974870 0.742028 O\n0.347997 0.501988 0.816901 O\n0.747504 0.169059 0.097675 O\n0.252496 0.830942 0.902324 O\n0.358588 0.179377 0.561960 O\n0.773062 0.327148 0.872917 O\n0.088015 0.758900 0.449689 O\n0.306991 0.220761 0.971020 O\n0.693008 0.779240 0.028980 O\n0.652002 0.498012 0.183099 O\n0.641412 0.820624 0.438040 O\n0.226938 0.672852 0.127083 O\n0.259148 0.375666 0.377401 O\n0.082536 0.025130 0.257972 O\n0.911985 0.241101 0.550311 O\n",
"nsites": 25,
"nelements": 3,
"elements": [
"Ni",
"P",
"O"
],
"chemical_system": "Ni-O-P",
"density": 3.9263575044184735,
"density_atomic": 0.08778863745165148,
"volume": 284.7748948577593,
"volume_molar": 6.859818006990507,
"formula_full": "Ni5 P4 O16",
"formula_reduced": "Ni5(PO4)4",
"formula_anonymous": "A4B5C16",
"energy_above_hull": 2.7813,
"spacegroup": 2
}
]
}