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=585",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=583",
"results": [
{
"id": "jvasp-101814",
"created_at": "2022-09-04T14:36:50.011682Z",
"updated_at": "2022-09-04T14:36:50.011712Z",
"structure_string": "H10 C6 S2 N2\n1.0\n4.568589 -0.114974 1.871211\n-0.193768 5.230532 1.892383\n0.130075 0.073843 7.795664\nH C S N\n10 6 2 2\ndirect\n0.318450 0.904251 0.862800 H\n0.035247 0.376208 0.840312 H\n0.463262 0.605019 0.112799 H\n0.480940 0.744828 0.458265 H\n0.620800 0.948442 0.208379 H\n0.035249 0.876211 0.340313 H\n0.463260 0.105016 0.612798 H\n0.480936 0.244824 0.958265 H\n0.620797 0.448438 0.708378 H\n0.318452 0.404256 0.362801 H\n0.576107 0.244183 0.804294 C\n0.361941 0.107223 0.765591 C\n0.576111 0.744186 0.304294 C\n0.361943 0.607228 0.265591 C\n0.866814 0.616260 0.268645 C\n0.866812 0.116255 0.768645 C\n0.923364 0.353675 0.203042 S\n0.923361 0.853670 0.703042 S\n0.077876 0.221813 0.792944 N\n0.077879 0.721817 0.292944 N\n",
"nsites": 20,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"N"
],
"chemical_system": "C-H-N-S",
"density": 1.5716345146284938,
"density_atomic": 0.10860941175919989,
"volume": 184.14610369442386,
"volume_molar": 5.544768784266883,
"formula_full": "H10 C6 S2 N2",
"formula_reduced": "H5C3SN",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 4.546575324999999,
"spacegroup": 1
},
{
"id": "jvasp-104739",
"created_at": "2022-09-04T14:36:51.328781Z",
"updated_at": "2022-09-04T14:36:51.328799Z",
"structure_string": "Ho3 Er3 Mn1 Bi2\n1.0\n4.204608 -0.000000 0.000000\n0.000000 7.105902 -4.102145\n-0.000000 -0.000170 8.204530\nHo Er Mn Bi\n3 3 1 2\ndirect\n0.500000 0.610682 0.000002 Ho\n0.500000 0.389295 0.389308 Ho\n0.500000 0.999989 0.610710 Ho\n-0.000000 0.230965 0.000002 Er\n-0.000000 0.769031 0.769044 Er\n0.000000 -0.000011 0.230972 Er\n0.500000 0.000000 -0.000004 Mn\n-0.000000 0.333335 0.666672 Bi\n-0.000000 0.666644 0.333333 Bi\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ho",
"Er",
"Mn",
"Bi"
],
"chemical_system": "Bi-Er-Ho-Mn",
"density": 9.954412623805887,
"density_atomic": 0.03671548512588326,
"volume": 245.12817872738069,
"volume_molar": 16.4021821837636,
"formula_full": "Ho3 Er3 Mn1 Bi2",
"formula_reduced": "Ho3Er3MnBi2",
"formula_anonymous": "AB2C3D3",
"energy_above_hull": 1.8372669490421456,
"spacegroup": 189
},
{
"id": "jvasp-107141",
"created_at": "2022-09-04T14:36:56.327807Z",
"updated_at": "2022-09-04T14:36:56.327832Z",
"structure_string": "K2 Rb1 Mo1 Br6\n1.0\n7.008935 -0.000000 4.046610\n2.336312 6.608087 4.046610\n-0.000000 -0.000000 8.093221\nK Rb Mo Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Mo\n0.773689 0.226311 0.226311 Br\n0.226310 0.226311 0.773689 Br\n0.226310 0.773690 0.773689 Br\n0.226310 0.773690 0.226311 Br\n0.773689 0.226311 0.773689 Br\n0.773688 0.773690 0.226311 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Mo",
"Br"
],
"chemical_system": "Br-K-Mo-Rb",
"density": 3.2738670677353188,
"density_atomic": 0.02667784934685036,
"volume": 374.84280947784197,
"volume_molar": 22.573561615494267,
"formula_full": "K2 Rb1 Mo1 Br6",
"formula_reduced": "K2RbMoBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.1972926529999999,
"spacegroup": 225
},
{
"id": "jvasp-106922",
"created_at": "2022-09-04T14:36:56.187553Z",
"updated_at": "2022-09-04T14:36:56.187569Z",
"structure_string": "Rb2 Sc1 Au1 Cl6\n1.0\n6.346269 -0.000000 3.664020\n2.115423 5.983320 3.664020\n-0.000000 -0.000000 7.328041\nRb Sc Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Au\n0.760314 0.239686 0.239686 Cl\n0.239686 0.239686 0.760314 Cl\n0.239686 0.760314 0.760314 Cl\n0.239686 0.760314 0.239686 Cl\n0.760314 0.239686 0.760314 Cl\n0.760314 0.760314 0.239686 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Sc",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-Rb-Sc",
"density": 3.7331946514784815,
"density_atomic": 0.03593779296598745,
"volume": 278.2586011740978,
"volume_molar": 16.757124639511186,
"formula_full": "Rb2 Sc1 Au1 Cl6",
"formula_reduced": "Rb2ScAuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0376227224999999,
"spacegroup": 225
},
{
"id": "jvasp-104169",
"created_at": "2022-09-04T14:36:58.066733Z",
"updated_at": "2022-09-04T14:36:58.066759Z",
"structure_string": "H14 C12 S2 N2\n1.0\n3.797581 0.055108 -0.599305\n-1.309218 7.979330 -3.002633\n0.083415 0.236938 9.585003\nH C S N\n14 12 2 2\ndirect\n0.831017 0.178917 0.083984 H\n0.437250 0.983894 0.704749 H\n0.937249 0.483894 0.204749 H\n0.792279 0.819658 0.481973 H\n0.292280 0.319658 0.981973 H\n0.410452 0.190228 0.133487 H\n0.672960 0.414478 0.498864 H\n0.910451 0.690228 0.633488 H\n0.851553 0.239870 0.672428 H\n0.351552 0.739870 0.172429 H\n0.217818 0.833861 0.438376 H\n0.717819 0.333861 0.938375 H\n0.331015 0.678917 0.583983 H\n0.172958 0.914478 -0.001136 H\n0.984020 0.055933 0.478810 C\n0.047310 0.903057 0.514725 C\n0.547310 0.403056 0.014726 C\n0.188642 0.750752 0.671739 C\n0.688643 0.250752 0.171739 C\n0.484019 0.555933 0.978810 C\n0.283398 0.799017 0.961495 C\n0.325014 0.724738 0.815663 C\n0.873712 0.202715 0.554561 C\n0.373710 0.702714 0.054560 C\n0.783398 0.299018 0.461495 C\n0.825015 0.224738 0.315663 C\n0.483276 0.538233 0.794287 S\n0.983276 0.038234 0.294287 S\n0.683845 0.421022 0.171515 N\n0.183845 0.921022 0.671515 N\n",
"nsites": 30,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"N"
],
"chemical_system": "C-H-N-S",
"density": 1.4122141834115012,
"density_atomic": 0.10189853892666867,
"volume": 294.41050201504373,
"volume_molar": 5.909938281189523,
"formula_full": "H14 C12 S2 N2",
"formula_reduced": "H7C6SN",
"formula_anonymous": "ABC6D7",
"energy_above_hull": 5.075772883333334,
"spacegroup": 1
},
{
"id": "jvasp-57848",
"created_at": "2022-09-04T14:36:50.030401Z",
"updated_at": "2022-09-04T14:36:50.030418Z",
"structure_string": "Ba6 Ru3 Cl2 O12\n1.0\n2.931285 -5.077134 -0.000000\n2.931285 5.077134 0.000000\n0.000000 0.000000 15.027743\nBa Ru Cl O\n6 3 2 12\ndirect\n0.666666 0.333332 0.637080 Ba\n0.333332 0.666666 0.362920 Ba\n0.333332 0.666666 0.785374 Ba\n0.666666 0.333332 0.920936 Ba\n0.333332 0.666666 0.079064 Ba\n0.666666 0.333332 0.214626 Ba\n0.000000 0.000000 0.172863 Ru\n0.000000 0.000000 0.000000 Ru\n0.000000 0.000000 0.827137 Ru\n0.333332 0.666666 0.576480 Cl\n0.666666 0.333332 0.423520 Cl\n0.159512 0.319024 0.238456 O\n0.159511 0.840487 0.238456 O\n0.844263 0.155735 0.081592 O\n0.840487 0.159511 0.761544 O\n0.155735 0.844263 0.918408 O\n0.840487 0.680975 0.761544 O\n0.155735 0.311471 0.918408 O\n0.844263 0.688527 0.081592 O\n0.688527 0.844263 0.918408 O\n0.680975 0.840487 0.238456 O\n0.311471 0.155735 0.081592 O\n0.319024 0.159512 0.761544 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Ba",
"Ru",
"Cl",
"O"
],
"chemical_system": "Ba-Cl-O-Ru",
"density": 5.160426439209536,
"density_atomic": 0.051419447945640795,
"volume": 447.3015739942397,
"volume_molar": 11.71179582940377,
"formula_full": "Ba6 Ru3 Cl2 O12",
"formula_reduced": "Ba6Ru3(ClO6)2",
"formula_anonymous": "A2B3C6D12",
"energy_above_hull": 2.180790758913043,
"spacegroup": 164
},
{
"id": "jvasp-101438",
"created_at": "2022-09-04T14:36:43.306383Z",
"updated_at": "2022-09-04T14:36:43.306407Z",
"structure_string": "K1 Th1 Ti2 O6\n1.0\n3.943270 0.000000 0.000000\n0.000000 3.943270 0.000000\n0.000000 0.000000 7.839618\nK Th Ti O\n1 1 2 6\ndirect\n0.500000 0.500000 0.000000 K\n0.500000 0.500000 0.500000 Th\n0.000000 0.000000 0.244955 Ti\n0.000000 0.000000 0.755045 Ti\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.284951 O\n0.000000 0.500000 0.715049 O\n0.500000 0.000000 0.284951 O\n0.500000 0.000000 0.715049 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Th",
"Ti",
"O"
],
"chemical_system": "K-O-Th-Ti",
"density": 6.305175225298366,
"density_atomic": 0.08203365637302043,
"volume": 121.9011859538281,
"volume_molar": 7.341061006248877,
"formula_full": "K1 Th1 Ti2 O6",
"formula_reduced": "KThTi2O6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.6121321266666664,
"spacegroup": 123
},
{
"id": "jvasp-107100",
"created_at": "2022-09-04T14:37:02.724468Z",
"updated_at": "2022-09-04T14:37:02.724494Z",
"structure_string": "Li2 In1 Cu1 Cl6\n1.0\n6.102968 -0.000000 3.523550\n2.034323 5.753934 3.523550\n-0.000000 -0.000000 7.047101\nLi In Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Cu\n0.745374 0.254626 0.254626 Cl\n0.254626 0.254626 0.745374 Cl\n0.254626 0.745373 0.745374 Cl\n0.254626 0.745373 0.254626 Cl\n0.745374 0.254626 0.745374 Cl\n0.745374 0.745373 0.254626 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"In",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-In-Li",
"density": 2.7173717131998947,
"density_atomic": 0.04040950543699514,
"volume": 247.4665277849439,
"volume_molar": 14.902782637093832,
"formula_full": "Li2 In1 Cu1 Cl6",
"formula_reduced": "Li2InCuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0233914825,
"spacegroup": 225
},
{
"id": "jvasp-103978",
"created_at": "2022-09-04T14:36:43.219460Z",
"updated_at": "2022-09-04T14:36:43.219487Z",
"structure_string": "Cd1 H14 C9 O4\n1.0\n3.778546 0.059985 0.437202\n0.725888 4.286057 0.360394\n0.165553 0.040197 13.634367\nCd H C O\n1 14 9 4\ndirect\n0.856001 0.042398 0.835509 Cd\n0.562957 0.317671 0.398391 H\n0.898704 0.830987 0.118211 H\n0.310653 0.836912 0.163158 H\n0.607993 0.836605 0.305521 H\n0.033822 0.820637 0.345381 H\n0.989975 0.299249 0.436828 H\n0.322468 0.797085 0.493261 H\n0.159311 0.323402 0.040858 H\n0.567632 0.309578 0.089126 H\n0.844140 0.332729 0.221109 H\n0.267410 0.320538 0.261140 H\n0.321530 0.250658 0.575028 H\n0.742806 0.244036 0.612474 H\n0.753008 0.784978 0.530567 H\n0.468221 0.645372 0.969123 C\n0.334799 0.471752 0.062961 C\n0.137654 0.678981 0.145130 C\n0.027122 0.482855 0.238622 C\n0.572831 0.638476 0.509662 C\n0.746518 0.464551 0.417770 C\n0.494629 0.404680 0.595986 C\n0.304976 0.528294 0.693051 C\n0.849687 0.673487 0.326680 C\n0.308343 0.923501 0.945558 O\n0.344133 0.342821 0.771239 O\n0.101266 0.795877 0.693435 O\n0.751346 0.521507 0.915848 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.2552876101067976,
"density_atomic": 0.12734963568842836,
"volume": 219.86713859554627,
"volume_molar": 4.728824489717173,
"formula_full": "Cd1 H14 C9 O4",
"formula_reduced": "CdH14C9O4",
"formula_anonymous": "AB4C9D14",
"energy_above_hull": 4.479343348214286,
"spacegroup": 1
},
{
"id": "jvasp-104830",
"created_at": "2022-09-04T14:36:56.128607Z",
"updated_at": "2022-09-04T14:36:56.128629Z",
"structure_string": "V1 Cd1 Cu3 Se4\n1.0\n5.878787 0.000000 0.000000\n0.000000 5.878787 0.000000\n0.000000 -0.000000 5.878787\nV Cd Cu Se\n1 1 3 4\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 Cd\n-0.000000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 -0.000000 Cu\n0.232454 0.232454 0.232454 Se\n0.767547 0.767547 0.232454 Se\n0.232454 0.767547 0.767547 Se\n0.767547 0.232454 0.767547 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"V",
"Cd",
"Cu",
"Se"
],
"chemical_system": "Cd-Cu-Se-V",
"density": 5.474580433060918,
"density_atomic": 0.04429751195728635,
"volume": 203.1716817115644,
"volume_molar": 13.594760730143983,
"formula_full": "V1 Cd1 Cu3 Se4",
"formula_reduced": "VCdCu3Se4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.8570509740740739,
"spacegroup": 215
},
{
"id": "jvasp-48152",
"created_at": "2022-09-04T14:37:05.168331Z",
"updated_at": "2022-09-04T14:37:05.168358Z",
"structure_string": "Li4 Co2 Si4 O12\n1.0\n-5.113383 -0.022051 -0.003198\n-0.028089 -5.113398 -0.001269\n2.564758 2.565244 9.559623\nLi Co Si O\n4 2 4 12\ndirect\n0.361868 0.930747 0.831648 Li\n0.780037 0.848896 0.667927 Li\n0.150254 0.219105 0.331657 Li\n0.068388 0.637253 0.167934 Li\n0.210909 0.788239 0.499787 Co\n0.960882 0.038245 -0.000212 Co\n0.022210 0.446877 0.836898 Si\n0.435111 0.359772 0.662693 Si\n0.639386 0.564018 0.336890 Si\n0.552269 0.976919 0.162682 Si\n0.730320 0.250565 0.277289 O\n0.702812 0.723061 0.222279 O\n0.317765 0.561675 0.332353 O\n0.838553 0.696568 0.490105 O\n0.302520 0.160603 0.509484 O\n0.042835 0.400920 0.990110 O\n0.276102 0.296361 0.777323 O\n0.748577 0.268822 0.722272 O\n0.020004 0.763956 0.832353 O\n0.235189 0.979120 0.167226 O\n0.437456 0.681392 0.667227 O\n0.598208 0.956254 0.009464 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 2.9900668614246193,
"density_atomic": 0.0880390942254288,
"volume": 249.88898617775217,
"volume_molar": 6.840302950618718,
"formula_full": "Li4 Co2 Si4 O12",
"formula_reduced": "Li2Co(SiO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.576446281818181,
"spacegroup": 43
},
{
"id": "jvasp-12571",
"created_at": "2022-09-04T14:36:51.371920Z",
"updated_at": "2022-09-04T14:36:51.371957Z",
"structure_string": "Hg4 H4 O4 F4\n1.0\n4.977508 0.000000 0.000000\n0.000000 6.042031 0.000000\n0.000000 0.000000 6.974640\nHg H O F\n4 4 4 4\ndirect\n0.254195 0.493287 0.140761 Hg\n0.754195 0.006713 0.859239 Hg\n0.745805 -0.006713 0.359239 Hg\n0.245805 0.506713 0.640761 Hg\n0.643752 0.509162 0.394131 H\n0.143751 0.990838 0.605869 H\n0.356249 0.009162 0.105869 H\n0.856249 0.490838 0.894131 H\n0.465924 0.598218 0.390657 O\n0.034076 0.401782 0.890657 O\n0.534076 0.098218 0.109343 O\n0.965924 0.901782 0.609343 O\n0.399347 0.107994 0.608302 F\n0.600654 0.607994 0.891698 F\n0.899347 0.392006 0.391698 F\n0.100654 0.892005 0.108302 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Hg",
"H",
"O",
"F"
],
"chemical_system": "F-H-Hg-O",
"density": 7.492026473620715,
"density_atomic": 0.0762786978449445,
"volume": 209.75712029751736,
"volume_molar": 7.894918149024391,
"formula_full": "Hg4 H4 O4 F4",
"formula_reduced": "HgHOF",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.534494595625,
"spacegroup": 19
}
]
}