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=1196",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=1194",
"results": [
{
"id": "jvasp-117339",
"created_at": "2022-09-04T14:38:26.361585Z",
"updated_at": "2022-09-04T14:38:26.361610Z",
"structure_string": "Pb4 Se2 N4 O18\n1.0\n5.550806 -0.000000 0.000000\n0.000000 7.300724 0.000000\n-0.000000 -0.000000 10.121949\nPb Se N O\n4 2 4 18\ndirect\n0.500000 0.895402 0.160284 Pb\n-0.000000 0.395402 0.839716 Pb\n0.500000 0.097911 0.528710 Pb\n-0.000000 0.597911 0.471290 Pb\n0.500000 0.639964 0.682186 Se\n-0.000000 0.139965 0.317814 Se\n0.500000 0.496899 0.271076 N\n0.000000 -0.003101 0.728925 N\n0.500000 0.262251 -0.003919 N\n-0.000000 0.762251 0.003919 N\n0.698995 0.204757 0.043323 O\n0.801302 0.078732 0.754260 O\n0.198698 0.078732 0.754260 O\n-0.000000 0.839004 0.680210 O\n0.500000 0.339004 0.319790 O\n0.801006 0.704757 0.956677 O\n0.198995 0.704757 0.956677 O\n0.301005 0.204757 0.043323 O\n0.739393 0.489987 0.650084 O\n0.500000 0.374903 0.900737 O\n0.760608 0.989986 0.349917 O\n0.239393 0.989986 0.349917 O\n0.301302 0.578732 0.245740 O\n0.260608 0.489987 0.650084 O\n-0.000000 0.260760 0.464612 O\n0.500000 0.760760 0.535388 O\n-0.000000 0.874903 0.099263 O\n0.698699 0.578732 0.245740 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Pb",
"Se",
"N",
"O"
],
"chemical_system": "N-O-Pb-Se",
"density": 5.387098036084161,
"density_atomic": 0.06826088381377138,
"volume": 410.1909971806006,
"volume_molar": 8.822242583951216,
"formula_full": "Pb4 Se2 N4 O18",
"formula_reduced": "Pb2SeN2O9",
"formula_anonymous": "AB2C2D9",
"energy_above_hull": 2.933826643333333,
"spacegroup": 31
},
{
"id": "jvasp-34377",
"created_at": "2022-09-04T14:37:13.204007Z",
"updated_at": "2022-09-04T14:37:13.204031Z",
"structure_string": "Sr1 Ta2 Bi2 O9\n1.0\n3.888016 0.000000 -0.600006\n-0.092594 3.886914 -0.600006\n-0.026612 -0.027253 12.724671\nSr Ta Bi O\n1 2 2 9\ndirect\n0.000000 0.000000 0.000000 Sr\n0.586065 0.586063 0.172127 Ta\n0.413938 0.413937 0.827873 Ta\n0.199970 0.199969 0.399937 Bi\n0.800033 0.800031 0.600063 Bi\n0.077260 0.577258 0.154518 O\n0.250001 0.750000 0.500000 O\n0.422743 0.922741 0.845481 O\n0.500001 0.500000 -0.000000 O\n0.922743 0.422742 0.845481 O\n0.337550 0.337549 0.675098 O\n0.577260 0.077259 0.154518 O\n0.750001 0.250000 0.500000 O\n0.662452 0.662450 0.324901 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sr",
"Ta",
"Bi",
"O"
],
"chemical_system": "Bi-O-Sr-Ta",
"density": 8.739977761046003,
"density_atomic": 0.07285104092168944,
"volume": 192.17295762526126,
"volume_molar": 8.266375722034562,
"formula_full": "Sr1 Ta2 Bi2 O9",
"formula_reduced": "SrTa2Bi2O9",
"formula_anonymous": "AB2C2D9",
"energy_above_hull": 3.0254189149999995,
"spacegroup": 139
},
{
"id": "jvasp-119488",
"created_at": "2022-09-04T14:38:34.082566Z",
"updated_at": "2022-09-04T14:38:34.082595Z",
"structure_string": "Rb1 Ba2 Fe2 F9\n1.0\n5.469768 -0.000091 5.501638\n2.269439 4.976747 5.501638\n-0.000142 -0.000091 7.757987\nRb Ba Fe F\n1 2 2 9\ndirect\n0.215380 0.215380 0.215380 Rb\n0.998947 0.998948 0.998947 Ba\n0.790146 0.790147 0.790146 Ba\n0.393383 0.393383 0.393383 Fe\n0.602332 0.602332 0.602332 Fe\n0.265851 0.784223 0.265851 F\n0.784222 0.265851 0.265851 F\n0.265851 0.265851 0.784222 F\n0.733910 0.209971 0.733909 F\n0.209971 0.733910 0.733909 F\n0.733910 0.733910 0.209970 F\n0.991420 0.507341 0.507340 F\n0.507341 0.507341 0.991420 F\n0.507341 0.991421 0.507340 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Rb",
"Ba",
"Fe",
"F"
],
"chemical_system": "Ba-F-Fe-Rb",
"density": 5.054115077858201,
"density_atomic": 0.06629029222598869,
"volume": 211.19231081789363,
"volume_molar": 9.084498736964472,
"formula_full": "Rb1 Ba2 Fe2 F9",
"formula_reduced": "RbBa2Fe2F9",
"formula_anonymous": "AB2C2D9",
"energy_above_hull": 0.1440111058928569,
"spacegroup": 160
},
{
"id": "jvasp-116693",
"created_at": "2022-09-04T14:38:44.346089Z",
"updated_at": "2022-09-04T14:38:44.346116Z",
"structure_string": "K1 Ba2 Bi2 O9\n1.0\n5.920509 0.000000 0.000000\n-2.960254 5.127311 0.000000\n-0.000000 -0.000000 7.843417\nK Ba Bi O\n1 2 2 9\ndirect\n0.000000 0.000000 0.000000 K\n0.666667 0.333333 0.354636 Ba\n0.333334 0.666667 0.645364 Ba\n0.333334 0.666667 0.159108 Bi\n0.666667 0.333333 0.840893 Bi\n0.500000 -0.000000 -0.000000 O\n0.824849 0.649697 0.667326 O\n0.175152 0.350303 0.332674 O\n0.824849 0.175151 0.667326 O\n0.175152 0.824849 0.332674 O\n0.500000 0.500000 -0.000000 O\n0.649698 0.824849 0.332674 O\n0.000000 0.500000 -0.000000 O\n0.350303 0.175151 0.667326 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"K",
"Ba",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-K-O",
"density": 6.10737032375626,
"density_atomic": 0.0587995529628711,
"volume": 238.0970482690622,
"volume_molar": 10.241813851548622,
"formula_full": "K1 Ba2 Bi2 O9",
"formula_reduced": "KBa2Bi2O9",
"formula_anonymous": "AB2C2D9",
"energy_above_hull": 1.851455717142857,
"spacegroup": 164
},
{
"id": "jvasp-99106",
"created_at": "2022-09-04T14:35:49.144511Z",
"updated_at": "2022-09-04T14:35:49.144534Z",
"structure_string": "Ba2 Nb4 Bi4 O18\n1.0\n5.702360 0.000000 -0.000000\n0.000000 5.566961 -1.208993\n0.000000 -0.109532 12.917029\nBa Nb Bi O\n2 4 4 18\ndirect\n0.466937 0.248218 0.000000 Ba\n0.966937 0.751782 0.000000 Ba\n0.476359 0.834746 0.173637 Nb\n0.976359 0.338891 0.173637 Nb\n0.476359 0.661109 0.826363 Nb\n0.976359 0.165254 0.826363 Nb\n0.052184 0.518367 0.598198 Bi\n0.552184 0.079832 0.598198 Bi\n0.052184 0.920168 0.401803 Bi\n0.552184 0.481633 0.401803 Bi\n0.701826 0.920826 0.829189 O\n0.442979 0.854592 0.321948 O\n0.262564 0.738414 0.504428 O\n0.762564 0.261586 0.495572 O\n0.262564 0.233986 0.495572 O\n0.708873 0.578491 0.150070 O\n0.208873 0.571577 0.150070 O\n0.701826 0.091638 0.170812 O\n0.708873 0.428423 0.849931 O\n0.942979 0.145408 0.678052 O\n0.201826 0.908362 0.829189 O\n0.201826 0.079174 0.170812 O\n0.955494 0.230830 0.000000 O\n0.442979 0.532645 0.678052 O\n0.208873 0.421509 0.849931 O\n0.762564 0.766014 0.504428 O\n0.942979 0.467355 0.321948 O\n0.455494 0.769170 0.000000 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ba",
"Nb",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Nb-O",
"density": 7.181813568728567,
"density_atomic": 0.06841055275126648,
"volume": 409.29357933716796,
"volume_molar": 8.802941239045188,
"formula_full": "Ba2 Nb4 Bi4 O18",
"formula_reduced": "BaNb2Bi2O9",
"formula_anonymous": "AB2C2D9",
"energy_above_hull": 2.850944633571429,
"spacegroup": 36
},
{
"id": "jvasp-87878",
"created_at": "2022-09-04T14:36:02.119308Z",
"updated_at": "2022-09-04T14:36:02.119326Z",
"structure_string": "Ag8 Se4 O12\n1.0\n4.869070 -0.036609 0.000000\n-0.202460 7.319633 0.000000\n0.000000 0.000000 9.909127\nAg Se O\n8 4 12\ndirect\n0.763865 0.888073 0.753100 Ag\n0.236135 0.111927 0.246900 Ag\n0.763865 0.388073 0.746900 Ag\n0.752419 0.408435 0.440363 Ag\n0.752419 0.908434 0.059637 Ag\n0.247581 0.591565 0.559638 Ag\n0.247581 0.091565 0.940363 Ag\n0.236135 0.611926 0.253100 Ag\n0.272950 0.630867 0.894299 Se\n0.727050 0.369132 0.105701 Se\n0.727050 0.869132 0.394299 Se\n0.272950 0.130868 0.605701 Se\n0.212585 0.766916 0.753839 O\n0.367690 0.874352 0.381759 O\n0.632310 0.625647 0.881759 O\n0.632310 0.125647 0.618242 O\n0.752088 0.206942 0.978121 O\n0.752088 0.706942 0.521879 O\n0.247912 0.793057 0.021879 O\n0.212585 0.266916 0.746161 O\n0.787415 0.233084 0.246161 O\n0.787415 0.733083 0.253839 O\n0.367690 0.374353 0.118241 O\n0.247912 0.293058 0.478121 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ag",
"Se",
"O"
],
"chemical_system": "Ag-O-Se",
"density": 6.446677701604312,
"density_atomic": 0.067972125443758,
"volume": 353.0859134287078,
"volume_molar": 8.859721129336886,
"formula_full": "Ag8 Se4 O12",
"formula_reduced": "Ag2SeO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.4018780644444444,
"spacegroup": 14
},
{
"id": "jvasp-87010",
"created_at": "2022-09-04T14:35:52.591300Z",
"updated_at": "2022-09-04T14:35:52.591312Z",
"structure_string": "U4 Al2 Cu6\n1.0\n5.460664 -0.000000 0.000000\n-2.730332 4.729074 0.000000\n-0.000000 0.000000 7.824198\nU Al Cu\n4 2 6\ndirect\n0.333333 0.666666 0.420219 U\n0.666667 0.333333 0.920219 U\n0.666667 0.333333 0.579782 U\n0.333333 0.666666 0.079781 U\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.172339 0.827660 0.750000 Cu\n0.344678 0.172339 0.250000 Cu\n0.827661 0.172339 0.250000 Cu\n0.655321 0.827660 0.750000 Cu\n0.172339 0.344678 0.750000 Cu\n0.827661 0.655321 0.250000 Cu\n",
"nsites": 12,
"nelements": 3,
"elements": [
"U",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-U",
"density": 11.401847178415629,
"density_atomic": 0.05939089215314896,
"volume": 202.05118268060482,
"volume_molar": 10.139838856892304,
"formula_full": "U4 Al2 Cu6",
"formula_reduced": "U2AlCu3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.282851025,
"spacegroup": 194
},
{
"id": "jvasp-86881",
"created_at": "2022-09-04T14:35:49.553065Z",
"updated_at": "2022-09-04T14:35:49.553101Z",
"structure_string": "Ca3 Si1 Br2\n1.0\n4.363838 0.064290 10.666128\n2.149699 3.798158 10.666128\n0.108418 0.064290 11.523784\nCa Si Br\n3 1 2\ndirect\n0.124154 0.124154 0.124154 Ca\n0.000000 0.000000 0.000000 Ca\n0.875847 0.875846 0.875845 Ca\n0.500000 0.500000 0.499999 Si\n0.714702 0.714702 0.714701 Br\n0.285298 0.285298 0.285298 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Si",
"Br"
],
"chemical_system": "Br-Ca-Si",
"density": 2.7872210837936993,
"density_atomic": 0.03268459524381166,
"volume": 183.57271843946148,
"volume_molar": 18.42501250230474,
"formula_full": "Ca3 Si1 Br2",
"formula_reduced": "Ca3SiBr2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.1154113449999999,
"spacegroup": 166
},
{
"id": "jvasp-86727",
"created_at": "2022-09-04T14:35:49.026336Z",
"updated_at": "2022-09-04T14:35:49.026362Z",
"structure_string": "Sm1 Si2 Rh3\n1.0\n5.568349 -0.000000 0.000000\n-2.784175 4.822332 -0.000000\n0.000000 0.000000 3.679124\nSm Si Rh\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.666667 0.333333 0.000000 Si\n0.333333 0.666667 0.000000 Si\n0.500000 0.500000 0.499999 Rh\n0.500000 0.000000 0.499999 Rh\n0.000000 0.500000 0.499999 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sm",
"Si",
"Rh"
],
"chemical_system": "Rh-Si-Sm",
"density": 8.660381258132793,
"density_atomic": 0.060732795392231774,
"volume": 98.79341073056304,
"volume_molar": 9.915797092999087,
"formula_full": "Sm1 Si2 Rh3",
"formula_reduced": "SmSi2Rh3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.8870941791666667,
"spacegroup": 191
},
{
"id": "jvasp-85304",
"created_at": "2022-09-04T14:36:02.759118Z",
"updated_at": "2022-09-04T14:36:02.759134Z",
"structure_string": "Ce3 As6 Pd9\n1.0\n4.141426 -0.000000 0.000000\n-2.070712 7.973242 -2.559440\n0.000000 0.049173 10.060548\nCe As Pd\n3 6 9\ndirect\n0.156021 0.312039 0.703852 Ce\n0.843981 0.687960 0.296148 Ce\n0.000000 0.000000 0.000000 Ce\n0.538826 0.077650 0.796095 As\n0.197267 0.394532 0.130855 As\n0.461175 0.922349 0.203905 As\n0.636758 0.273515 0.460116 As\n0.802735 0.605467 0.869145 As\n0.363243 0.726485 0.539884 As\n0.500000 -0.000000 0.500000 Pd\n0.038465 0.076931 0.333245 Pd\n0.319050 0.638099 0.030866 Pd\n0.680951 0.361900 0.969134 Pd\n0.782206 0.564410 0.606066 Pd\n0.373799 0.747598 0.793084 Pd\n0.961536 0.923069 0.666755 Pd\n0.217795 0.435590 0.393934 Pd\n0.626202 0.252401 0.206916 Pd\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ce",
"As",
"Pd"
],
"chemical_system": "As-Ce-Pd",
"density": 9.121296715160323,
"density_atomic": 0.054098491398239225,
"volume": 332.72646860880593,
"volume_molar": 11.131809047444172,
"formula_full": "Ce3 As6 Pd9",
"formula_reduced": "CeAs2Pd3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.0570726833333333,
"spacegroup": 12
},
{
"id": "jvasp-98029",
"created_at": "2022-09-04T14:35:49.290149Z",
"updated_at": "2022-09-04T14:35:49.290171Z",
"structure_string": "Nd8 N4 Cl12\n1.0\n6.251099 -0.000000 0.000000\n0.000000 6.854459 0.000000\n0.000000 0.000000 13.463579\nNd N Cl\n8 4 12\ndirect\n0.006022 0.823149 0.907545 Nd\n0.493979 0.823149 0.092455 Nd\n0.993979 0.676851 0.407545 Nd\n0.993979 0.176851 0.092455 Nd\n0.493979 0.323149 0.407545 Nd\n0.506022 0.176851 0.907545 Nd\n0.006022 0.323149 0.592455 Nd\n0.506022 0.676851 0.592455 Nd\n0.750000 0.492516 0.500000 N\n0.750000 0.992516 0.000000 N\n0.250000 0.507484 0.500000 N\n0.250000 0.007484 0.000000 N\n0.250000 0.997575 0.500000 Cl\n0.250000 0.497575 0.000000 Cl\n0.911302 0.151237 0.786349 Cl\n0.088698 0.848763 0.213651 Cl\n0.588698 0.651237 0.286349 Cl\n0.411302 0.848763 0.786349 Cl\n0.911302 0.651237 0.713651 Cl\n0.411302 0.348763 0.713651 Cl\n0.588698 0.151237 0.213651 Cl\n0.088698 0.348763 0.286349 Cl\n0.750000 0.502425 0.000000 Cl\n0.750000 0.002425 0.500000 Cl\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Nd",
"N",
"Cl"
],
"chemical_system": "Cl-N-Nd",
"density": 4.707417193238054,
"density_atomic": 0.041602665669345576,
"volume": 576.8861108744796,
"volume_molar": 14.475372342396179,
"formula_full": "Nd8 N4 Cl12",
"formula_reduced": "Nd2NCl3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.2405480754166662,
"spacegroup": 60
},
{
"id": "jvasp-98982",
"created_at": "2022-09-04T14:35:47.597211Z",
"updated_at": "2022-09-04T14:35:47.597231Z",
"structure_string": "Ba8 Zn4 O12\n1.0\n5.863206 -0.000000 0.361740\n2.931604 5.755350 0.180870\n-0.024339 0.000000 12.717259\nBa Zn O\n8 4 12\ndirect\n0.862681 0.791962 0.424994 Ba\n0.137319 0.208037 0.575006 Ba\n0.654642 0.208037 0.924994 Ba\n0.562351 0.410365 0.347471 Ba\n0.972716 0.589635 0.847471 Ba\n0.437649 0.589635 0.652530 Ba\n0.027284 0.410365 0.152530 Ba\n0.345358 0.791962 0.075006 Ba\n0.726191 0.004125 0.163621 Zn\n0.273809 0.995875 0.836379 Zn\n0.269685 0.004125 0.336379 Zn\n0.730315 0.995875 0.663621 Zn\n0.131881 0.197285 0.965342 O\n0.856408 0.657179 0.633149 O\n0.486413 0.657179 0.866851 O\n0.143592 0.342821 0.366851 O\n0.404546 0.190910 0.750000 O\n0.996289 0.007424 0.250000 O\n0.003711 0.992576 0.750000 O\n0.329164 0.802715 0.465342 O\n0.868119 0.802715 0.034658 O\n0.670836 0.197285 0.534658 O\n0.513587 0.342821 0.133149 O\n0.595454 0.809090 0.250000 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"O"
],
"chemical_system": "Ba-O-Zn",
"density": 6.0056168928875575,
"density_atomic": 0.05591902044126207,
"volume": 429.1920675758234,
"volume_molar": 10.76939601673767,
"formula_full": "Ba8 Zn4 O12",
"formula_reduced": "Ba2ZnO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.5580471616666668,
"spacegroup": 15
}
]
}