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=density&page=876",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=874",
"results": [
{
"id": "jvasp-106828",
"created_at": "2022-09-04T14:37:02.632267Z",
"updated_at": "2022-09-04T14:37:02.632283Z",
"structure_string": "Ce1 Y1 Mg4\n1.0\n5.218892 -0.000000 3.013128\n1.739631 4.920418 3.013128\n-0.000000 0.000000 6.026257\nCe Y Mg\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ce\n0.000000 0.000000 0.000000 Y\n0.124304 0.625232 0.625232 Mg\n0.625231 0.124304 0.625232 Mg\n0.625231 0.625232 0.124305 Mg\n0.625231 0.625232 0.625232 Mg\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Y",
"Mg"
],
"chemical_system": "Ce-Mg-Y",
"density": 3.5007476944125666,
"density_atomic": 0.038772454340146915,
"volume": 154.74903774113943,
"volume_molar": 15.532008129194901,
"formula_full": "Ce1 Y1 Mg4",
"formula_reduced": "CeYMg4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3008428583333334,
"spacegroup": 216
},
{
"id": "jvasp-50732",
"created_at": "2022-09-04T14:37:10.491105Z",
"updated_at": "2022-09-04T14:37:10.491133Z",
"structure_string": "Li4 Ti3 O8\n1.0\n2.923088 -5.093325 0.000000\n2.915919 5.058913 -0.024280\n0.000000 -3.385451 4.798451\nLi Ti O\n4 3 8\ndirect\n0.125001 0.875000 0.625000 Li\n0.125001 0.875000 0.125000 Li\n0.625001 0.875000 0.625000 Li\n0.625001 0.875000 0.125000 Li\n0.125000 0.375000 0.625000 Ti\n0.625001 0.375000 0.625000 Ti\n0.625001 0.375000 0.125000 Ti\n0.378608 0.135822 0.378608 O\n0.409445 0.149206 0.869880 O\n0.380120 0.600794 0.840555 O\n0.380120 0.600794 0.380119 O\n0.869881 0.149206 0.869880 O\n0.869881 0.149206 0.409445 O\n0.840556 0.600794 0.380119 O\n0.871393 0.614178 0.871392 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Li",
"Ti",
"O"
],
"chemical_system": "Li-O-Ti",
"density": 3.5011235400968075,
"density_atomic": 0.10564660290796211,
"volume": 141.98279534901653,
"volume_molar": 5.700269193933672,
"formula_full": "Li4 Ti3 O8",
"formula_reduced": "Li4Ti3O8",
"formula_anonymous": "A3B4C8",
"energy_above_hull": 2.5888322,
"spacegroup": 166
},
{
"id": "jvasp-9481",
"created_at": "2022-09-04T14:38:31.431737Z",
"updated_at": "2022-09-04T14:38:31.431761Z",
"structure_string": "Mg2 Ti2 Si2 O10\n1.0\n5.426538 -0.149801 -0.021864\n-1.503961 4.905376 0.050567\n-1.810474 -2.078394 6.465508\nMg Ti Si O\n2 2 2 10\ndirect\n0.275543 0.153269 0.707732 Mg\n0.691585 0.852217 0.215920 Mg\n0.994697 0.512506 0.502148 Ti\n0.005262 0.492056 0.005718 Ti\n0.675684 0.807663 0.772867 Si\n0.332514 0.193540 0.255626 Si\n0.633659 0.519518 0.854211 O\n0.879224 0.807545 0.632694 O\n0.358619 0.474403 0.170012 O\n0.146819 0.204149 0.410829 O\n0.630385 0.191550 0.387168 O\n0.217985 0.898981 0.059278 O\n0.382374 0.810735 0.635713 O\n0.791786 0.079961 0.988106 O\n0.928338 0.614188 0.264874 O\n0.054194 0.389717 0.759070 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Mg",
"Ti",
"Si",
"O"
],
"chemical_system": "Mg-O-Si-Ti",
"density": 3.501396426283535,
"density_atomic": 0.09358280494712641,
"volume": 170.97157975805365,
"volume_molar": 6.4350932453910366,
"formula_full": "Mg2 Ti2 Si2 O10",
"formula_reduced": "MgTiSiO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.262227935416666,
"spacegroup": 1
},
{
"id": "jvasp-18368",
"created_at": "2022-09-04T14:38:09.148733Z",
"updated_at": "2022-09-04T14:38:09.148759Z",
"structure_string": "K2 Os1 Cl6\n1.0\n5.939994 -0.000000 3.429457\n1.979998 5.600280 3.429457\n0.000000 -0.000000 6.858914\nK Os Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Os\n0.757416 0.242584 0.757416 Cl\n0.757416 0.242584 0.242584 Cl\n0.757416 0.757416 0.242584 Cl\n0.242584 0.757416 0.242584 Cl\n0.242584 0.242584 0.757416 Cl\n0.242584 0.757416 0.757416 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"K",
"Os",
"Cl"
],
"chemical_system": "Cl-K-Os",
"density": 3.5016570428226665,
"density_atomic": 0.03944494950409865,
"volume": 228.16609257073145,
"volume_molar": 15.267203623557057,
"formula_full": "K2 Os1 Cl6",
"formula_reduced": "K2OsCl6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.4815028227777778,
"spacegroup": 225
},
{
"id": "jvasp-119751",
"created_at": "2022-09-04T14:38:26.574496Z",
"updated_at": "2022-09-04T14:38:26.574516Z",
"structure_string": "Li4 Mn4 F16\n1.0\n4.616217 -0.000000 0.000000\n0.000000 5.711959 0.000000\n-0.000000 -0.000000 9.918404\nLi Mn F\n4 4 16\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.500000 -0.000000 Li\n-0.000000 0.293488 0.750000 Mn\n-0.000000 0.706512 0.250000 Mn\n0.500000 0.793488 0.750000 Mn\n0.500000 0.206512 0.250000 Mn\n0.760886 0.033125 0.671812 F\n0.760886 0.966875 0.171812 F\n0.739115 0.466875 0.171812 F\n0.739115 0.533125 0.671812 F\n0.705725 0.221122 0.409676 F\n0.705725 0.778878 0.909676 F\n0.294275 0.221122 0.090324 F\n0.239114 0.966875 0.328188 F\n0.260886 0.466875 0.328188 F\n0.260886 0.533125 0.828187 F\n0.794276 0.278878 0.909676 F\n0.239114 0.033125 0.828187 F\n0.205725 0.278878 0.590324 F\n0.205725 0.721122 0.090324 F\n0.294275 0.778878 0.590324 F\n0.794276 0.721122 0.409676 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.501661367741437,
"density_atomic": 0.09176945448431231,
"volume": 261.52492825488815,
"volume_molar": 6.56224970916599,
"formula_full": "Li4 Mn4 F16",
"formula_reduced": "LiMnF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3415580618965517,
"spacegroup": 60
},
{
"id": "jvasp-22284",
"created_at": "2022-09-04T14:37:52.103886Z",
"updated_at": "2022-09-04T14:37:52.103917Z",
"structure_string": "Sr1 Al9 Co2\n1.0\n3.956231 -6.852393 -0.000000\n3.956231 6.852393 -0.000000\n-0.000000 -0.000000 3.921112\nSr Al Co\n1 9 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.500000 0.000000 Al\n0.213282 0.786717 0.500000 Al\n0.786717 0.573434 0.500000 Al\n0.426566 0.213282 0.500000 Al\n0.573434 0.786717 0.500000 Al\n0.213282 0.426566 0.500000 Al\n0.786717 0.213282 0.500000 Al\n0.333333 0.666667 0.000000 Co\n0.666667 0.333333 0.000000 Co\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"Al",
"Co"
],
"chemical_system": "Al-Co-Sr",
"density": 3.501662567306627,
"density_atomic": 0.05644404099335678,
"volume": 212.5999448092731,
"volume_molar": 10.669223276747283,
"formula_full": "Sr1 Al9 Co2",
"formula_reduced": "SrAl9Co2",
"formula_anonymous": "AB2C9",
"energy_above_hull": 2.1179427758333333,
"spacegroup": 191
},
{
"id": "jvasp-10716",
"created_at": "2022-09-04T14:37:27.753406Z",
"updated_at": "2022-09-04T14:37:27.753427Z",
"structure_string": "Sc4 Cd2 S8\n1.0\n6.603794 -0.000000 3.812703\n2.201265 6.226117 3.812703\n-0.000000 0.000000 7.625405\nSc Cd S\n4 2 8\ndirect\n0.500000 0.000000 0.500000 Sc\n-0.000000 0.500000 0.500000 Sc\n0.499999 0.500000 -0.000000 Sc\n0.499999 0.500000 0.500000 Sc\n0.874999 0.875000 0.875000 Cd\n0.125000 0.125000 0.125000 Cd\n0.739427 0.739428 0.739428 S\n0.260572 0.260572 0.718284 S\n0.260571 0.718284 0.260572 S\n0.718282 0.260572 0.260572 S\n0.739427 0.281717 0.739428 S\n0.281716 0.739428 0.739428 S\n0.260572 0.260572 0.260572 S\n0.739427 0.739428 0.281717 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sc",
"Cd",
"S"
],
"chemical_system": "Cd-S-Sc",
"density": 3.501754284072062,
"density_atomic": 0.04465337875216348,
"volume": 313.52610689782784,
"volume_molar": 13.486416769096618,
"formula_full": "Sc4 Cd2 S8",
"formula_reduced": "Sc2CdS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.532541464285714,
"spacegroup": 227
},
{
"id": "jvasp-46720",
"created_at": "2022-09-04T14:38:07.752567Z",
"updated_at": "2022-09-04T14:38:07.752588Z",
"structure_string": "Li2 Mn4 P4 O16\n1.0\n0.000000 4.801384 0.004335\n10.013088 0.000000 0.000000\n0.000000 -0.066862 -6.051290\nLi Mn P O\n2 4 4 16\ndirect\n0.250083 0.797048 0.749792 Li\n0.749916 0.297048 0.250207 Li\n0.297250 0.516084 0.998241 Mn\n0.202800 0.078212 0.501805 Mn\n0.797199 0.578212 0.498194 Mn\n0.702750 0.016084 0.001758 Mn\n0.165422 0.202025 0.000545 P\n0.665469 0.892289 0.500528 P\n0.834578 0.702025 0.999454 P\n0.334531 0.392289 0.499471 P\n0.983859 0.906305 0.514919 O\n0.965902 0.624176 0.196823 O\n0.015871 0.136967 0.205647 O\n0.484101 0.457362 0.294386 O\n0.534191 0.970164 0.303167 O\n0.574489 0.744385 0.500408 O\n0.016140 0.406304 0.485080 O\n0.034097 0.124176 0.803177 O\n0.465809 0.470164 0.696832 O\n0.515899 0.957362 0.705613 O\n0.984129 0.636967 0.794352 O\n0.483818 0.187960 0.014917 O\n0.516181 0.687960 0.985083 O\n0.074572 0.349949 0.000401 O\n0.425511 0.244385 0.499591 O\n0.925428 0.849949 -0.000402 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.5018654151754887,
"density_atomic": 0.08937071658957772,
"volume": 290.9230337650899,
"volume_molar": 6.738382537152324,
"formula_full": "Li2 Mn4 P4 O16",
"formula_reduced": "LiMn2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 3.0856333448275866,
"spacegroup": 14
},
{
"id": "jvasp-118363",
"created_at": "2022-09-04T14:38:33.040536Z",
"updated_at": "2022-09-04T14:38:33.040573Z",
"structure_string": "Ca1 Al1 N2\n1.0\n1.573286 0.908337 5.257450\n-1.573286 0.908337 5.257450\n0.000000 -1.816674 5.257450\nCa Al N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500001 0.500001 0.499998 Al\n0.233120 0.233120 0.233119 N\n0.766881 0.766881 0.766877 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Al",
"N"
],
"chemical_system": "Al-Ca-N",
"density": 3.502070870803258,
"density_atomic": 0.08873172136392231,
"volume": 45.07970699220957,
"volume_molar": 6.786908523166057,
"formula_full": "Ca1 Al1 N2",
"formula_reduced": "CaAlN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.65370493,
"spacegroup": 166
},
{
"id": "jvasp-114557",
"created_at": "2022-09-04T14:38:41.929373Z",
"updated_at": "2022-09-04T14:38:41.929398Z",
"structure_string": "Ba1 Cl2\n1.0\n4.459284 -1.496984 -2.200625\n-1.359829 -4.958969 0.633999\n1.275871 1.750567 -4.703257\nBa Cl\n1 2\ndirect\n0.077504 -0.074692 0.836414 Ba\n0.328482 0.175401 0.335808 Cl\n0.826527 0.675207 0.336986 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ba",
"Cl"
],
"chemical_system": "Ba-Cl",
"density": 3.5021105467475233,
"density_atomic": 0.030384525041970964,
"volume": 98.73447078261118,
"volume_molar": 19.819762697233063,
"formula_full": "Ba1 Cl2",
"formula_reduced": "BaCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.00109,
"spacegroup": 225
},
{
"id": "jvasp-49210",
"created_at": "2022-09-04T14:38:30.177100Z",
"updated_at": "2022-09-04T14:38:30.177116Z",
"structure_string": "Na12 Mn2 Te8\n1.0\n5.009161 -8.676121 -0.000000\n5.009161 8.676121 0.000000\n0.000000 0.000000 7.672733\nNa Mn Te\n12 2 8\ndirect\n0.298519 0.149260 0.456600 Na\n0.946908 0.473454 0.129114 Na\n0.473454 0.946908 0.629114 Na\n0.526546 0.053092 0.129114 Na\n0.526546 0.473454 0.129114 Na\n0.053092 0.526546 0.629114 Na\n0.473454 0.526546 0.629114 Na\n0.850740 0.149260 0.456600 Na\n0.850740 0.701481 0.456600 Na\n0.149260 0.298519 0.956599 Na\n0.149260 0.850740 0.956599 Na\n0.701481 0.850740 0.956599 Na\n0.666667 0.333333 0.748130 Mn\n0.333333 0.666667 0.248130 Mn\n0.815276 0.184724 0.858523 Te\n0.666667 0.333333 0.392457 Te\n0.333333 0.666667 0.892457 Te\n0.369449 0.184724 0.858523 Te\n0.184724 0.815276 0.358523 Te\n0.184724 0.369449 0.358523 Te\n0.815276 0.630551 0.858523 Te\n0.630551 0.815276 0.358523 Te\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Na",
"Mn",
"Te"
],
"chemical_system": "Mn-Na-Te",
"density": 3.502149053156555,
"density_atomic": 0.032987697902922095,
"volume": 666.9152865635771,
"volume_molar": 18.255716957643624,
"formula_full": "Na12 Mn2 Te8",
"formula_reduced": "Na6MnTe4",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.3251002098223619,
"spacegroup": 186
},
{
"id": "jvasp-10010",
"created_at": "2022-09-04T14:38:31.846271Z",
"updated_at": "2022-09-04T14:38:31.846297Z",
"structure_string": "Ca2 As2 O7\n1.0\n4.923132 -0.004623 -0.590349\n-0.897549 5.596633 -1.577419\n-0.008128 0.011121 5.883533\nCa As O\n2 2 7\ndirect\n0.500000 0.694376 0.305623 Ca\n0.499999 0.305623 0.694376 Ca\n0.090179 0.771811 0.771811 As\n0.909820 0.228188 0.228188 As\n0.276617 0.915767 0.612435 O\n0.723382 0.387564 0.084232 O\n0.723382 0.084232 0.387564 O\n0.276617 0.612436 0.915767 O\n0.000000 0.000000 0.000000 O\n0.783186 0.616066 0.616065 O\n0.216813 0.383934 0.383934 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ca",
"As",
"O"
],
"chemical_system": "As-Ca-O",
"density": 3.5022949106555963,
"density_atomic": 0.0678385480387642,
"volume": 162.14969686135376,
"volume_molar": 8.877166351730931,
"formula_full": "Ca2 As2 O7",
"formula_reduced": "Ca2As2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.0709226218181813,
"spacegroup": 12
}
]
}