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=nsites&page=3796",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=3794",
"results": [
{
"id": "jvasp-29798",
"created_at": "2022-09-04T14:37:20.152611Z",
"updated_at": "2022-09-04T14:37:20.152641Z",
"structure_string": "Al4 H4 O8\n1.0\n3.703961 0.000000 0.000000\n0.000000 12.371594 0.000000\n0.000000 0.000000 2.887760\nAl H O\n4 4 8\ndirect\n0.750509 0.568167 0.270515 Al\n0.749490 0.068167 0.270515 Al\n0.249490 0.431833 0.770515 Al\n0.250509 0.931832 0.770515 Al\n0.568834 0.224478 0.770514 H\n0.931166 0.724477 0.770514 H\n0.431166 0.775522 0.270515 H\n0.068834 0.275523 0.270515 H\n0.750973 0.960436 0.770514 O\n0.749027 0.460436 0.770514 O\n0.249027 0.039564 0.270514 O\n0.250973 0.539564 0.270514 O\n0.757552 0.168872 0.770517 O\n0.742448 0.668872 0.770517 O\n0.242448 0.831127 0.270517 O\n0.257552 0.331127 0.270517 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Al",
"H",
"O"
],
"chemical_system": "Al-H-O",
"density": 3.0110802314392737,
"density_atomic": 0.12091128082243129,
"volume": 132.32843032650848,
"volume_molar": 4.980627712350543,
"formula_full": "Al4 H4 O8",
"formula_reduced": "AlHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6534999499999998,
"spacegroup": 62
},
{
"id": "jvasp-12513",
"created_at": "2022-09-04T14:37:26.651891Z",
"updated_at": "2022-09-04T14:37:26.651906Z",
"structure_string": "I4 O12\n1.0\n5.033994 -0.064551 -0.048381\n-1.716998 6.608493 -0.003608\n-0.708478 -1.186999 6.741187\nI O\n4 12\ndirect\n0.003405 0.172141 0.672881 I\n0.996593 0.827858 0.327119 I\n0.797182 0.658957 0.776720 I\n0.202816 0.341043 0.223280 I\n0.225258 0.982895 0.585147 O\n0.774741 0.017105 0.414853 O\n0.792732 0.956955 0.801406 O\n0.207266 0.043044 0.198594 O\n0.842527 0.298858 0.150448 O\n0.157471 0.701142 0.849552 O\n0.784824 0.630741 0.477121 O\n0.215174 0.369259 0.522879 O\n0.267096 0.295750 0.895055 O\n0.732902 0.704249 0.104945 O\n0.257953 0.686598 0.295968 O\n0.742045 0.313401 0.704033 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
"I",
"O"
],
"chemical_system": "I-O",
"density": 5.205684143871986,
"density_atomic": 0.07169556114227613,
"volume": 223.1658382343759,
"volume_molar": 8.399600566692511,
"formula_full": "I4 O12",
"formula_reduced": "IO3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.6900241937500002,
"spacegroup": 2
},
{
"id": "jvasp-11037",
"created_at": "2022-09-04T14:37:18.934682Z",
"updated_at": "2022-09-04T14:37:18.934709Z",
"structure_string": "Mg4 Co4 O8\n1.0\n2.896002 -0.246552 -0.228912\n0.655948 7.282592 0.439434\n0.654279 0.774998 7.415307\nMg Co O\n4 4 8\ndirect\n0.762129 0.027917 0.793881 Mg\n0.261948 0.952001 0.177928 Mg\n0.262057 0.676146 0.938224 Mg\n0.761999 0.303766 0.033568 Mg\n0.262092 0.254213 0.390456 Co\n0.262177 0.402131 0.679002 Co\n0.761849 0.577786 0.292792 Co\n0.761968 0.725714 0.581342 Co\n0.261759 0.729770 0.388978 O\n0.261954 0.452183 0.157520 O\n0.762075 0.527734 0.814278 O\n0.762269 0.250136 0.582818 O\n0.761915 0.115636 0.266561 O\n0.262083 0.167627 0.918324 O\n0.262144 0.864289 0.705231 O\n-0.238026 0.812288 0.053483 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Co",
"O"
],
"chemical_system": "Co-Mg-O",
"density": 4.8595684401662735,
"density_atomic": 0.10158197960524153,
"volume": 157.50825158337844,
"volume_molar": 5.928355386853737,
"formula_full": "Mg4 Co4 O8",
"formula_reduced": "MgCoO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3554067375000003,
"spacegroup": 11
},
{
"id": "jvasp-10327",
"created_at": "2022-09-04T14:37:20.018661Z",
"updated_at": "2022-09-04T14:37:20.018686Z",
"structure_string": "Ca2 Sn4 O10\n1.0\n3.978215 0.000059 0.000000\n-1.988890 5.458182 0.000000\n0.000000 0.000000 10.834248\nCa Sn O\n2 4 10\ndirect\n0.807202 0.614281 0.750000 Ca\n0.192800 0.385720 0.250000 Ca\n0.131569 0.263039 0.563317 Sn\n0.868433 0.736962 0.436682 Sn\n0.868433 0.736962 0.063318 Sn\n0.131569 0.263039 0.936683 Sn\n0.801430 0.603020 0.250000 O\n0.198572 0.396980 0.750000 O\n0.305897 0.611865 0.053191 O\n0.694106 0.388136 0.946809 O\n0.694106 0.388136 0.553191 O\n0.305897 0.611865 0.446808 O\n-0.047976 -0.095377 0.609429 O\n0.047976 0.095376 0.390571 O\n-0.047976 -0.095377 0.890571 O\n0.047976 0.095376 0.109430 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"O"
],
"chemical_system": "Ca-O-Sn",
"density": 5.046748727660412,
"density_atomic": 0.06801153857553209,
"volume": 235.25419855383447,
"volume_molar": 8.854586862951123,
"formula_full": "Ca2 Sn4 O10",
"formula_reduced": "CaSn2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.555687395833333,
"spacegroup": 63
},
{
"id": "jvasp-9799",
"created_at": "2022-09-04T14:37:34.082839Z",
"updated_at": "2022-09-04T14:37:34.082863Z",
"structure_string": "Ca4 Sn4 O8\n1.0\n3.221909 0.046865 -0.268941\n1.489733 8.438521 -0.104295\n0.781796 1.550016 9.433000\nCa Sn O\n4 4 8\ndirect\n0.791818 0.930421 0.686743 Ca\n0.212330 0.089660 0.285043 Ca\n0.167047 0.179907 0.918325 Ca\n0.837104 0.840173 0.053463 Ca\n0.406942 0.700277 0.420566 Sn\n0.465564 0.581234 0.825606 Sn\n0.538586 0.438856 0.146199 Sn\n0.597213 0.319810 0.551233 Sn\n0.619790 0.274899 0.336418 O\n0.416913 0.679826 0.191415 O\n0.587237 0.340265 0.780387 O\n0.384373 0.745179 0.635385 O\n0.820494 0.873661 0.381297 O\n0.297987 0.919215 0.877652 O\n0.183664 0.146424 0.590514 O\n0.706165 0.100865 0.094137 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"O"
],
"chemical_system": "Ca-O-Sn",
"density": 4.921734208059793,
"density_atomic": 0.062141356099029786,
"volume": 257.4774836664662,
"volume_molar": 9.691035307312877,
"formula_full": "Ca4 Sn4 O8",
"formula_reduced": "CaSnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6639692416666664,
"spacegroup": 12
},
{
"id": "jvasp-9707",
"created_at": "2022-09-04T14:36:39.963798Z",
"updated_at": "2022-09-04T14:36:39.963818Z",
"structure_string": "Ag4 C4 O8\n1.0\n0.000000 3.356867 -0.116746\n6.311883 0.000000 0.000000\n0.000000 -2.465266 -9.179957\nAg C O\n4 4 8\ndirect\n0.862958 0.992438 0.347841 Ag\n0.137043 0.492439 0.152159 Ag\n0.137042 0.007561 0.652159 Ag\n0.862958 0.507561 0.847842 Ag\n0.397880 0.889979 0.002605 C\n0.602121 0.110020 0.997396 C\n0.397879 0.610020 0.502605 C\n0.602121 0.389979 0.497396 C\n0.850115 0.329975 0.611732 O\n0.850116 0.170025 0.111732 O\n0.149884 0.829974 0.888269 O\n0.149885 0.670025 0.388268 O\n0.491541 0.711667 0.620169 O\n0.508459 0.211667 0.879832 O\n0.508460 0.288333 0.379832 O\n0.491541 0.788333 0.120169 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ag",
"C",
"O"
],
"chemical_system": "Ag-C-O",
"density": 5.138448888135258,
"density_atomic": 0.08149837007831896,
"volume": 196.32294467514123,
"volume_molar": 7.389277545321206,
"formula_full": "Ag4 C4 O8",
"formula_reduced": "AgCO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.437951065,
"spacegroup": 14
},
{
"id": "jvasp-11373",
"created_at": "2022-09-04T14:36:53.417986Z",
"updated_at": "2022-09-04T14:36:53.417994Z",
"structure_string": "K4 V2 Cu2 S8\n1.0\n5.273859 -0.000000 1.263569\n2.636930 6.389309 0.631785\n0.026230 -0.000000 11.528265\nK V Cu S\n4 2 2 8\ndirect\n0.445608 0.750000 0.108786 K\n0.195608 0.250000 0.608786 K\n0.804393 0.750000 0.391215 K\n0.554393 0.250000 0.891215 K\n0.375000 0.250000 0.250000 V\n0.625000 0.750000 0.750001 V\n0.125000 0.750000 0.750001 Cu\n0.875000 0.250000 0.250000 Cu\n0.101505 0.449385 0.138020 S\n0.898495 0.550615 0.861981 S\n0.239524 0.949385 0.861981 S\n0.550889 0.550615 0.638020 S\n0.188909 0.050615 0.361980 S\n0.449111 0.449385 0.361980 S\n0.760476 0.050615 0.138020 S\n0.811091 0.949385 0.638021 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"K",
"V",
"Cu",
"S"
],
"chemical_system": "Cu-K-S-V",
"density": 2.7453577515977012,
"density_atomic": 0.041210742487285235,
"volume": 388.2482827126079,
"volume_molar": 14.613036302022497,
"formula_full": "K4 V2 Cu2 S8",
"formula_reduced": "K2VCuS4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.2648225812500002,
"spacegroup": 70
},
{
"id": "jvasp-9513",
"created_at": "2022-09-04T14:36:43.632109Z",
"updated_at": "2022-09-04T14:36:43.632118Z",
"structure_string": "V2 Zn2 Si2 O10\n1.0\n5.190193 0.016341 -0.115733\n-1.135383 5.347220 0.005815\n-1.923446 -2.439134 6.413692\nV Zn Si O\n2 2 2 10\ndirect\n0.500132 0.998408 0.500839 V\n0.500129 -0.001591 0.000839 V\n0.218947 0.328990 0.723798 Zn\n0.781325 0.667844 0.277933 Zn\n0.815413 0.648500 0.761268 Si\n0.184849 0.348313 0.240422 Si\n0.573896 0.648278 0.870467 O\n0.744305 0.775315 0.575965 O\n0.426355 0.348564 0.131205 O\n0.255952 0.221487 0.425720 O\n0.166539 0.655764 0.335969 O\n0.868322 0.186631 0.060541 O\n0.833724 0.341048 0.665744 O\n0.131935 0.810197 0.941150 O\n0.604560 0.958384 0.269036 O\n0.395684 0.038455 0.732656 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"V",
"Zn",
"Si",
"O"
],
"chemical_system": "O-Si-V-Zn",
"density": 4.2186629908340985,
"density_atomic": 0.09055845569443027,
"volume": 176.68145815105885,
"volume_molar": 6.650003816673286,
"formula_full": "V2 Zn2 Si2 O10",
"formula_reduced": "VZnSiO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.3168175875,
"spacegroup": 2
},
{
"id": "jvasp-52306",
"created_at": "2022-09-04T14:37:01.558589Z",
"updated_at": "2022-09-04T14:37:01.558604Z",
"structure_string": "Sc4 Ti2 O10\n1.0\n3.864336 0.000000 0.000000\n-1.932168 5.100483 0.000000\n0.000000 0.000000 10.297879\nSc Ti O\n4 2 10\ndirect\n0.362821 0.725640 0.436507 Sc\n0.305433 0.610867 0.749582 Sc\n0.694567 0.389132 0.249582 Sc\n0.637180 0.274359 0.936507 Sc\n0.366896 0.733793 0.059493 Ti\n0.633104 0.266206 0.559493 Ti\n0.446278 0.892554 0.891064 O\n0.184983 0.369964 0.569835 O\n0.270913 0.541825 0.241850 O\n0.198840 0.397679 0.932348 O\n0.462465 0.924930 0.619322 O\n0.729087 0.458174 0.741850 O\n0.815017 0.630036 0.069835 O\n0.553723 0.107445 0.391064 O\n0.537535 0.075069 0.119322 O\n0.801160 0.602321 0.432348 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sc",
"Ti",
"O"
],
"chemical_system": "O-Sc-Ti",
"density": 3.5633197009656676,
"density_atomic": 0.07882899919877999,
"volume": 202.97098989742884,
"volume_molar": 7.63949919599284,
"formula_full": "Sc4 Ti2 O10",
"formula_reduced": "Sc2TiO5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.6199095416666665,
"spacegroup": 36
},
{
"id": "jvasp-10699",
"created_at": "2022-09-04T14:36:46.074286Z",
"updated_at": "2022-09-04T14:36:46.074311Z",
"structure_string": "Li4 Pr4 O8\n1.0\n0.000000 5.818037 -0.011051\n6.159660 0.000000 0.000000\n0.000000 -1.242818 -5.691321\nLi Pr O\n4 4 8\ndirect\n0.337615 0.358440 0.314963 Li\n0.662385 0.641560 0.685037 Li\n0.337614 0.141560 0.814963 Li\n0.662386 0.858440 0.185037 Li\n0.200675 0.569762 0.801880 Pr\n0.799325 0.069762 0.698119 Pr\n0.799326 0.430238 0.198119 Pr\n0.200675 0.930238 0.301880 Pr\n0.908111 0.738187 0.484439 O\n0.908110 0.761813 0.984439 O\n0.091890 0.238187 0.015561 O\n0.091890 0.261813 0.515561 O\n0.426732 0.870052 0.706063 O\n0.573268 0.370052 0.793937 O\n0.573268 0.129948 0.293937 O\n0.426732 0.629948 0.206063 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Pr",
"O"
],
"chemical_system": "Li-O-Pr",
"density": 5.854461744170034,
"density_atomic": 0.07841399521563616,
"volume": 204.0452084605621,
"volume_molar": 7.679931042206549,
"formula_full": "Li4 Pr4 O8",
"formula_reduced": "LiPrO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0509692125,
"spacegroup": 14
},
{
"id": "jvasp-29408",
"created_at": "2022-09-04T14:37:01.518937Z",
"updated_at": "2022-09-04T14:37:01.518959Z",
"structure_string": "Pb4 S2 O10\n1.0\n5.280860 0.000000 -2.181474\n-1.177806 6.383418 -2.851205\n-0.004608 0.054671 7.471468\nPb S O\n4 2 10\ndirect\n0.476157 0.726924 0.952317 Pb\n0.523842 0.273076 0.047683 Pb\n0.147881 0.109355 0.295760 Pb\n0.852118 0.890645 0.704240 Pb\n0.831314 0.343646 0.662630 S\n0.168685 0.656354 0.337370 S\n0.101232 0.427222 0.202464 O\n0.358041 0.752778 0.291449 O\n0.898767 0.572778 0.797536 O\n0.253047 -0.000000 0.000000 O\n0.715561 0.299562 0.431122 O\n0.066592 0.247222 0.708551 O\n0.284438 0.700438 0.568878 O\n0.641958 0.247222 0.708551 O\n0.933407 0.752778 0.291449 O\n0.746953 -0.000000 0.000000 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Pb",
"S",
"O"
],
"chemical_system": "O-Pb-S",
"density": 6.917258709071567,
"density_atomic": 0.0633006076545096,
"volume": 252.76218653898098,
"volume_molar": 9.513559163394506,
"formula_full": "Pb4 S2 O10",
"formula_reduced": "Pb2SO5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.9170148925,
"spacegroup": 12
},
{
"id": "jvasp-101939",
"created_at": "2022-09-04T14:37:01.633934Z",
"updated_at": "2022-09-04T14:37:01.633948Z",
"structure_string": "Hf1 H6 C5 O4\n1.0\n3.472598 -0.009752 0.388245\n1.503321 3.747431 0.588439\n0.056568 -0.003153 8.995795\nHf H C O\n1 6 5 4\ndirect\n0.073784 0.964840 0.328720 Hf\n0.559114 0.097983 0.909124 H\n0.904478 0.301623 0.913911 H\n0.883854 0.576826 0.602915 H\n0.824755 0.170005 0.659687 H\n0.067422 0.655324 0.771702 H\n0.401218 0.877368 0.776606 H\n0.455938 0.490780 0.483289 C\n0.652566 0.455537 0.630849 C\n0.398380 0.458459 0.068679 C\n0.393791 0.612770 0.773072 C\n0.571122 0.360901 0.912994 C\n0.743125 0.566211 0.345389 O\n0.478827 0.143392 0.461104 O\n0.199520 0.774386 0.096129 O\n0.479177 0.197734 0.175621 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Hf",
"H",
"C",
"O"
],
"chemical_system": "C-H-Hf-O",
"density": 4.375238259699777,
"density_atomic": 0.13661315402528246,
"volume": 117.11902938013526,
"volume_molar": 4.408170503760938,
"formula_full": "Hf1 H6 C5 O4",
"formula_reduced": "HfH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.6859973125,
"spacegroup": 1
}
]
}