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=-spacegroup&page=4198",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4196",
"results": [
{
"id": "jvasp-11326",
"created_at": "2022-09-04T14:37:16.480153Z",
"updated_at": "2022-09-04T14:37:16.480176Z",
"structure_string": "Mg2 Mo3 O8\n1.0\n4.710378 -0.012623 -1.494647\n-0.836217 4.969943 -2.677309\n-0.035278 0.061212 6.206794\nMg Mo O\n2 3 8\ndirect\n0.666498 0.734290 0.468579 Mg\n0.333500 0.265710 0.531419 Mg\n0.499999 0.999999 -0.000001 Mo\n0.999999 0.716734 -0.000001 Mo\n0.999999 0.283266 -0.000000 Mo\n0.093721 0.380396 0.760795 O\n0.906278 0.619602 0.239204 O\n0.065579 0.888201 0.776403 O\n0.934420 0.111798 0.223594 O\n0.414829 0.359853 0.239670 O\n0.414829 0.879817 0.239670 O\n0.585171 0.120181 0.760328 O\n0.585171 0.640146 0.760328 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Mo",
"O"
],
"chemical_system": "Mg-Mo-O",
"density": 5.288589243320104,
"density_atomic": 0.08914937758100182,
"volume": 145.82266699717673,
"volume_molar": 6.755112512735422,
"formula_full": "Mg2 Mo3 O8",
"formula_reduced": "Mg2Mo3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 3.182285676923077,
"spacegroup": 12
},
{
"id": "jvasp-81573",
"created_at": "2022-09-04T14:37:16.683728Z",
"updated_at": "2022-09-04T14:37:16.683752Z",
"structure_string": "Sc1 Ti1 Co2\n1.0\n-9.267928 2.663728 -1.000989\n-7.047969 1.851439 1.817414\n-6.221440 4.189207 0.385829\nSc Ti Co\n1 1 2\ndirect\n0.000000 -0.000000 -0.000000 Sc\n0.500000 -0.000000 0.000000 Ti\n0.784451 -0.033700 -0.033699 Co\n0.215549 0.033699 0.033700 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Ti",
"Co"
],
"chemical_system": "Co-Sc-Ti",
"density": 5.920696525290303,
"density_atomic": 0.06769260241768289,
"volume": 59.090651816262664,
"volume_molar": 8.896305570942085,
"formula_full": "Sc1 Ti1 Co2",
"formula_reduced": "ScTiCo2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.218238845833333,
"spacegroup": 12
},
{
"id": "jvasp-11323",
"created_at": "2022-09-04T14:37:16.738331Z",
"updated_at": "2022-09-04T14:37:16.738345Z",
"structure_string": "Ti3 Zn2 O8\n1.0\n4.659840 -0.336335 -2.079776\n-0.884990 5.259819 -2.833466\n-0.648888 -0.086285 6.479391\nTi Zn O\n3 2 8\ndirect\n0.500000 0.999999 -0.000001 Ti\n0.999999 0.734174 -0.000002 Ti\n0.999999 0.265824 -0.000001 Ti\n0.715359 0.685531 0.371061 Zn\n0.284639 0.314469 0.628937 Zn\n0.005152 0.389581 0.779165 O\n0.994847 0.610416 0.220833 O\n0.028055 0.889373 0.778747 O\n0.971944 0.110624 0.221250 O\n0.454867 0.338049 0.212711 O\n0.454867 0.874661 0.212710 O\n0.545133 0.125336 0.787287 O\n0.545133 0.661949 0.787287 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ti",
"Zn",
"O"
],
"chemical_system": "O-Ti-Zn",
"density": 4.519125040030398,
"density_atomic": 0.08791749706213428,
"volume": 147.86590194682702,
"volume_molar": 6.849763654831926,
"formula_full": "Ti3 Zn2 O8",
"formula_reduced": "Ti3Zn2O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.401129523076923,
"spacegroup": 12
},
{
"id": "jvasp-11542",
"created_at": "2022-09-04T14:37:16.706855Z",
"updated_at": "2022-09-04T14:37:16.706881Z",
"structure_string": "Mg2 Cr3 O8\n1.0\n4.628505 0.004046 -1.438133\n-0.846470 5.030876 -2.710134\n-0.063361 -0.156925 5.885204\nMg Cr O\n2 3 8\ndirect\n0.656031 0.726576 0.453149 Mg\n0.343968 0.273427 0.546853 Mg\n0.500000 1.000000 0.000001 Cr\n0.999998 0.733922 0.000001 Cr\n0.999998 0.266080 0.000001 Cr\n0.074976 0.393508 0.787015 O\n0.925024 0.606493 0.212986 O\n0.080973 0.894139 0.788275 O\n0.919027 0.105863 0.211726 O\n0.403619 0.341541 0.226874 O\n0.403619 0.885335 0.226875 O\n0.596382 0.114667 0.773127 O\n0.596382 0.658462 0.773128 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"O"
],
"chemical_system": "Cr-Mg-O",
"density": 4.107961087994623,
"density_atomic": 0.09669562361312592,
"volume": 134.44248575315376,
"volume_molar": 6.227935179459897,
"formula_full": "Mg2 Cr3 O8",
"formula_reduced": "Mg2Cr3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.839602946153846,
"spacegroup": 12
},
{
"id": "jvasp-11035",
"created_at": "2022-09-04T14:37:18.761110Z",
"updated_at": "2022-09-04T14:37:18.761129Z",
"structure_string": "Mg2 Fe4 O8\n1.0\n2.758631 -0.000069 0.565818\n1.168672 7.695544 1.309991\n-0.027254 1.104055 7.139453\nMg Fe O\n2 4 8\ndirect\n0.330031 0.144131 0.195904 Mg\n0.665419 0.832916 0.836336 Mg\n0.589875 0.199266 0.621088 Fe\n0.157661 0.477895 0.206898 Fe\n0.837816 0.499153 0.825329 Fe\n0.405599 0.777780 0.411144 Fe\n0.844440 0.701353 0.609932 O\n0.434270 0.378898 0.752658 O\n0.561206 0.598150 0.279568 O\n0.151031 0.275695 0.422300 O\n0.110277 0.021040 0.758520 O\n0.781699 0.343464 0.093232 O\n0.885186 0.956006 0.273709 O\n0.213770 0.633583 0.939000 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Fe",
"O"
],
"chemical_system": "Fe-Mg-O",
"density": 4.474953211159172,
"density_atomic": 0.09432428349313536,
"volume": 148.42413301786573,
"volume_molar": 6.384507294389649,
"formula_full": "Mg2 Fe4 O8",
"formula_reduced": "Mg(FeO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.3015634357142853,
"spacegroup": 12
},
{
"id": "jvasp-10885",
"created_at": "2022-09-04T14:37:16.832175Z",
"updated_at": "2022-09-04T14:37:16.832194Z",
"structure_string": "Rb4 Si2 S6\n1.0\n6.269881 0.000000 2.733008\n2.753423 6.538569 2.241756\n-0.014946 0.007693 8.592761\nRb Si S\n4 2 6\ndirect\n0.803775 0.579265 0.813184 Rb\n0.196224 0.420734 0.186817 Rb\n0.580416 0.200891 0.638275 Rb\n0.419583 0.799109 0.361726 Rb\n0.116369 0.947720 0.819542 Si\n0.883630 0.052280 0.180460 Si\n0.238228 -0.000000 0.000000 S\n0.761772 -0.000000 0.000000 S\n0.888469 0.827342 0.395719 S\n0.111530 0.172658 0.604282 S\n0.709877 0.357509 0.222735 S\n0.290122 0.642490 0.777266 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Rb",
"Si",
"S"
],
"chemical_system": "Rb-S-Si",
"density": 2.7814876383600913,
"density_atomic": 0.0340438954776377,
"volume": 352.4861015944077,
"volume_molar": 17.689340997876528,
"formula_full": "Rb4 Si2 S6",
"formula_reduced": "Rb2SiS3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.0786731,
"spacegroup": 12
},
{
"id": "jvasp-9529",
"created_at": "2022-09-04T14:37:16.920404Z",
"updated_at": "2022-09-04T14:37:16.920440Z",
"structure_string": "Mg4 Ti4 O8\n1.0\n2.849096 0.000093 0.000082\n1.424407 8.402621 0.048337\n1.423901 1.693062 8.209003\nMg Ti O\n4 4 8\ndirect\n0.614688 0.967094 0.803639 Mg\n0.389471 0.052985 0.168159 Mg\n0.933257 0.259804 0.873766 Mg\n0.070927 0.760275 0.098040 Mg\n0.339603 0.845860 0.475058 Ti\n0.787290 0.616239 0.809286 Ti\n0.216884 0.403842 0.162500 Ti\n0.664518 0.174230 0.496742 Ti\n0.141225 0.332966 0.384620 O\n0.653114 0.587607 0.106311 O\n0.351057 0.432472 0.865498 O\n0.862912 0.687115 0.587167 O\n0.916800 0.880452 0.286045 O\n0.183787 0.787200 0.845343 O\n0.087337 0.139641 0.685755 O\n0.820380 0.232876 0.126453 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"O"
],
"chemical_system": "Mg-O-Ti",
"density": 3.5250275276879988,
"density_atomic": 0.08151309949409218,
"volume": 196.28746912218242,
"volume_molar": 7.3879423029871,
"formula_full": "Mg4 Ti4 O8",
"formula_reduced": "MgTiO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3214060958333331,
"spacegroup": 12
},
{
"id": "jvasp-11141",
"created_at": "2022-09-04T14:37:17.117280Z",
"updated_at": "2022-09-04T14:37:17.117290Z",
"structure_string": "K6 Ga2 O6\n1.0\n6.433816 -0.014729 -0.709321\n-1.023388 5.903559 -2.735225\n-0.009122 0.042025 6.586269\nK Ga O\n6 2 6\ndirect\n0.351409 0.626675 0.626676 K\n-0.000000 0.740454 0.259547 K\n0.500000 0.809579 0.190421 K\n0.000000 0.259546 0.740454 K\n0.648591 0.373324 0.373325 K\n0.500000 0.190420 0.809580 K\n0.853045 0.827246 0.827248 Ga\n0.146955 0.172753 0.172753 Ga\n0.733232 0.843860 0.567060 O\n0.160142 0.902863 0.902865 O\n0.839859 0.097136 0.097136 O\n0.266769 0.156139 0.432940 O\n0.266768 0.432940 0.156140 O\n0.733232 0.567059 0.843861 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"K",
"Ga",
"O"
],
"chemical_system": "Ga-K-O",
"density": 3.1121357036687307,
"density_atomic": 0.05582257340979634,
"volume": 250.7946005503059,
"volume_molar": 10.788002759727968,
"formula_full": "K6 Ga2 O6",
"formula_reduced": "K3GaO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.3971795464285716,
"spacegroup": 12
},
{
"id": "jvasp-59909",
"created_at": "2022-09-04T14:37:17.051051Z",
"updated_at": "2022-09-04T14:37:17.051083Z",
"structure_string": "Li3 Co4 O8\n1.0\n5.437924 0.008787 8.269358\n2.479613 4.839691 8.269358\n0.010439 0.006393 4.954623\nLi Co O\n3 4 8\ndirect\n0.250000 0.750000 0.500001 Li\n0.749999 0.250000 0.500001 Li\n0.749999 0.750000 0.500002 Li\n0.001970 0.001970 0.000466 Co\n0.001242 0.498758 0.000001 Co\n0.498758 0.001242 0.000000 Co\n0.498029 0.498030 -0.000464 Co\n0.128685 0.128685 0.277271 O\n0.125005 0.639447 0.260033 O\n0.639447 0.125006 0.260033 O\n0.630826 0.630827 0.254966 O\n0.371315 0.371315 0.722730 O\n0.374994 0.860552 0.739970 O\n0.860552 0.374995 0.739969 O\n0.869173 0.869174 0.745038 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.922854033357475,
"density_atomic": 0.1156392317868655,
"volume": 129.71376381716613,
"volume_molar": 5.207696961442463,
"formula_full": "Li3 Co4 O8",
"formula_reduced": "Li3(CoO2)4",
"formula_anonymous": "A3B4C8",
"energy_above_hull": 2.752794773333333,
"spacegroup": 12
},
{
"id": "jvasp-11324",
"created_at": "2022-09-04T14:37:17.282655Z",
"updated_at": "2022-09-04T14:37:17.282672Z",
"structure_string": "Mg2 Ti3 O8\n1.0\n4.731643 -0.004986 -1.487113\n-0.873803 5.193332 -2.797649\n-0.093050 -0.211278 5.992391\nMg Ti O\n2 3 8\ndirect\n0.652864 0.723713 0.447427 Mg\n0.347134 0.276287 0.552573 Mg\n0.500000 0.999998 -0.000000 Ti\n0.999999 0.732869 -0.000000 Ti\n0.999998 0.267129 -0.000000 Ti\n0.079937 0.394028 0.788057 O\n0.920063 0.605969 0.211942 O\n0.080547 0.891515 0.783031 O\n0.919453 0.108483 0.216968 O\n0.406507 0.341596 0.231200 O\n0.406507 0.889603 0.231200 O\n0.593493 0.110395 0.768800 O\n0.593494 0.658403 0.768799 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"O"
],
"chemical_system": "Mg-O-Ti",
"density": 3.70704531406476,
"density_atomic": 0.09063426411020327,
"volume": 143.43361340908717,
"volume_molar": 6.64444161280728,
"formula_full": "Mg2 Ti3 O8",
"formula_reduced": "Mg2Ti3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.5037354692307696,
"spacegroup": 12
},
{
"id": "jvasp-58266",
"created_at": "2022-09-04T14:37:17.326586Z",
"updated_at": "2022-09-04T14:37:17.326605Z",
"structure_string": "Na2 Er2 P2 O8 F2\n1.0\n5.495460 0.003129 1.245911\n1.160302 5.371572 1.245911\n0.002741 0.002214 6.460225\nNa Er P O F\n2 2 2 8 2\ndirect\n0.705374 0.294626 0.500000 Na\n0.294626 0.705373 0.500000 Na\n0.283181 0.283181 0.116763 Er\n0.716819 0.716818 0.883238 Er\n0.846945 0.846945 0.276127 P\n0.153054 0.153054 0.723874 P\n0.983300 0.628966 0.153289 O\n0.371034 0.016699 0.846712 O\n0.020359 0.020359 0.271913 O\n0.979641 0.979640 0.728087 O\n0.741957 0.741956 0.510425 O\n0.258043 0.258043 0.489575 O\n0.016699 0.371034 0.846712 O\n0.628965 0.983300 0.153289 O\n0.519316 0.519315 0.189275 F\n0.480684 0.480684 0.810726 F\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Na",
"Er",
"P",
"O",
"F"
],
"chemical_system": "Er-F-Na-O-P",
"density": 5.299490072487629,
"density_atomic": 0.08392460436593185,
"volume": 190.64730922336048,
"volume_molar": 7.1756558228645195,
"formula_full": "Na2 Er2 P2 O8 F2",
"formula_reduced": "NaErPO4F",
"formula_anonymous": "ABCDE4",
"energy_above_hull": 1.5189160978124998,
"spacegroup": 12
},
{
"id": "jvasp-11010",
"created_at": "2022-09-04T14:37:17.332798Z",
"updated_at": "2022-09-04T14:37:17.332819Z",
"structure_string": "Ca2 Mn4 O8\n1.0\n2.897036 0.000128 0.000034\n1.448202 6.598598 -0.592761\n1.448356 1.512338 8.421333\nCa Mn O\n2 4 8\ndirect\n0.626861 0.903912 0.842253 Ca\n0.377748 0.063733 0.180729 Ca\n0.376448 0.368075 0.878858 Mn\n0.862770 0.775155 0.499216 Mn\n0.141752 0.192751 0.523695 Mn\n0.628070 0.599599 0.144094 Mn\n0.213986 0.413225 0.158641 O\n0.540278 0.267953 0.651445 O\n0.464216 0.700053 0.371419 O\n0.790477 0.554451 0.864443 O\n0.948070 0.165960 0.937770 O\n0.249896 0.865891 0.634243 O\n0.056513 0.801713 0.085140 O\n0.754651 0.101917 0.388714 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O",
"density": 4.343734380445876,
"density_atomic": 0.08558476874146408,
"volume": 163.58050861002425,
"volume_molar": 7.036463203156844,
"formula_full": "Ca2 Mn4 O8",
"formula_reduced": "CaMn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.574145557536945,
"spacegroup": 12
}
]
}