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=chemical_system&page=458",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=456",
"results": [
{
"id": "jvasp-2160",
"created_at": "2022-09-04T14:36:13.837493Z",
"updated_at": "2022-09-04T14:36:13.837507Z",
"structure_string": "Fe2 As4\n1.0\n2.911651 0.000000 0.000000\n0.000000 5.313396 0.000000\n0.000000 0.000000 6.006929\nFe As\n2 4\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.179963 0.361331 As\n0.000000 0.820038 0.638670 As\n0.500000 0.679963 0.138669 As\n0.500000 0.320037 0.861331 As\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Fe",
"As"
],
"chemical_system": "As-Fe",
"density": 7.350628425872343,
"density_atomic": 0.06456352732488986,
"volume": 92.93172552062443,
"volume_molar": 9.327465535914744,
"formula_full": "Fe2 As4",
"formula_reduced": "FeAs2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.3032163333333333,
"spacegroup": 58
},
{
"id": "jvasp-14711",
"created_at": "2022-09-04T14:36:19.003590Z",
"updated_at": "2022-09-04T14:36:19.003617Z",
"structure_string": "Fe4 As4\n1.0\n3.409694 -0.000000 0.000000\n-0.000000 5.329112 0.000000\n0.000000 0.000000 5.969976\nFe As\n4 4\ndirect\n0.749999 0.999647 0.202061 Fe\n0.250000 0.000353 0.797939 Fe\n0.749999 0.499647 0.297939 Fe\n0.250000 0.500353 0.702062 Fe\n0.749999 0.797691 0.581526 As\n0.250000 0.202309 0.418475 As\n0.749999 0.297691 0.918475 As\n0.250000 0.702308 0.081526 As\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Fe",
"As"
],
"chemical_system": "As-Fe",
"density": 8.006875625560435,
"density_atomic": 0.07374747386809978,
"volume": 108.47829193862708,
"volume_molar": 8.16589429323482,
"formula_full": "Fe4 As4",
"formula_reduced": "FeAs",
"formula_anonymous": "AB",
"energy_above_hull": 1.821078625,
"spacegroup": 62
},
{
"id": "jvasp-59538",
"created_at": "2022-09-04T14:37:12.752818Z",
"updated_at": "2022-09-04T14:37:12.752847Z",
"structure_string": "Fe12 As5\n1.0\n5.813247 0.003258 3.246266\n1.906831 5.491616 3.246266\n0.004577 0.003259 6.658233\nFe As\n12 5\ndirect\n0.118231 0.589907 0.354042 Fe\n0.858185 0.077432 0.369640 Fe\n0.630688 0.849951 0.338509 Fe\n0.849950 0.338510 0.630688 Fe\n0.854069 0.854070 0.854069 Fe\n0.469980 0.469980 0.469980 Fe\n0.338509 0.630689 0.849950 Fe\n0.369640 0.858185 0.077432 Fe\n0.077432 0.369640 0.858184 Fe\n0.354042 0.118232 0.589907 Fe\n0.589907 0.354043 0.118232 Fe\n0.238138 0.238139 0.238138 Fe\n0.709993 0.709994 0.709992 As\n0.202501 0.854053 0.505639 As\n0.854052 0.505640 0.202501 As\n0.505639 0.202502 0.854051 As\n0.998144 0.998145 0.998143 As\n",
"nsites": 17,
"nelements": 2,
"elements": [
"Fe",
"As"
],
"chemical_system": "As-Fe",
"density": 8.168050586235964,
"density_atomic": 0.08003992891069499,
"volume": 212.39399174089533,
"volume_molar": 7.523920675540878,
"formula_full": "Fe12 As5",
"formula_reduced": "Fe12As5",
"formula_anonymous": "A5B12",
"energy_above_hull": 3.889350279411764,
"spacegroup": 155
},
{
"id": "jvasp-75773",
"created_at": "2022-09-04T14:35:54.031859Z",
"updated_at": "2022-09-04T14:35:54.031889Z",
"structure_string": "Ga2 Fe1 As1\n1.0\n-0.000000 3.143177 3.143177\n3.143177 0.000000 3.143177\n3.143177 3.143177 0.000000\nGa Fe As\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ga\n0.750001 0.750001 0.750001 Ga\n0.250000 0.250000 0.250000 Fe\n0.500001 0.500001 0.500001 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ga",
"Fe",
"As"
],
"chemical_system": "As-Fe-Ga",
"density": 7.224672823407877,
"density_atomic": 0.06440557798199534,
"volume": 62.106421917651375,
"volume_molar": 9.350340372201144,
"formula_full": "Ga2 Fe1 As1",
"formula_reduced": "Ga2FeAs",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.315980475,
"spacegroup": 216
},
{
"id": "jvasp-75577",
"created_at": "2022-09-04T14:36:16.985332Z",
"updated_at": "2022-09-04T14:36:16.985350Z",
"structure_string": "Hf1 Fe2 As1\n1.0\n0.000000 3.097474 3.097474\n3.097474 -0.000000 3.097474\n3.097474 3.097474 -0.000000\nHf Fe As\n1 2 1\ndirect\n0.749999 0.749999 0.749999 Hf\n0.000000 0.000000 0.000000 Fe\n0.250000 0.250000 0.250000 Fe\n0.499999 0.499999 0.499999 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Fe",
"As"
],
"chemical_system": "As-Fe-Hf",
"density": 10.200226818605321,
"density_atomic": 0.06729874830107144,
"volume": 59.43646948833843,
"volume_molar": 8.948369638405481,
"formula_full": "Hf1 Fe2 As1",
"formula_reduced": "HfFe2As",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.6561214375,
"spacegroup": 216
},
{
"id": "jvasp-51222",
"created_at": "2022-09-04T14:36:40.284917Z",
"updated_at": "2022-09-04T14:36:40.284941Z",
"structure_string": "In1 Fe1 As1\n1.0\n0.000000 3.214365 3.214365\n3.214365 0.000000 3.214365\n3.214365 3.214365 -0.000000\nIn Fe As\n1 1 1\ndirect\n0.250000 0.250000 0.250000 In\n0.499999 0.499999 0.499999 Fe\n0.000000 0.000000 0.000000 As\n",
"nsites": 3,
"nelements": 3,
"elements": [
"In",
"Fe",
"As"
],
"chemical_system": "As-Fe-In",
"density": 6.139523413401862,
"density_atomic": 0.04516538195912787,
"volume": 66.42255351044814,
"volume_molar": 13.333532229285026,
"formula_full": "In1 Fe1 As1",
"formula_reduced": "InFeAs",
"formula_anonymous": "ABC",
"energy_above_hull": 1.80123574,
"spacegroup": 216
},
{
"id": "jvasp-53554",
"created_at": "2022-09-04T14:36:52.364592Z",
"updated_at": "2022-09-04T14:36:52.364612Z",
"structure_string": "K1 Fe2 As2\n1.0\n3.491987 -0.142959 -1.365552\n-0.391739 3.472887 -1.365553\n0.881630 0.946944 7.310548\nK Fe As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 K\n0.249993 0.750007 0.500001 Fe\n0.750008 0.249992 0.500000 Fe\n0.649631 0.649631 0.299295 As\n0.350369 0.350368 0.700706 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Fe",
"As"
],
"chemical_system": "As-Fe-K",
"density": 5.11366352837239,
"density_atomic": 0.051217523076888066,
"volume": 97.62283881815152,
"volume_molar": 11.757969535074011,
"formula_full": "K1 Fe2 As2",
"formula_reduced": "K(FeAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.1844245,
"spacegroup": 139
},
{
"id": "jvasp-97029",
"created_at": "2022-09-04T14:36:44.203981Z",
"updated_at": "2022-09-04T14:36:44.204007Z",
"structure_string": "K2 Fe4 As4\n1.0\n3.750477 -0.000000 -0.000000\n-0.000000 3.750477 -0.000000\n0.000000 0.000000 13.888475\nK Fe As\n2 4 4\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 K\n0.500000 0.000000 0.250000 Fe\n0.000000 0.500000 0.750000 Fe\n0.000000 0.500000 0.250000 Fe\n0.500000 0.000000 0.750000 Fe\n0.000000 0.000000 0.649641 As\n0.500000 0.500000 0.149642 As\n0.000000 0.000000 0.350358 As\n0.500000 0.500000 0.850358 As\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Fe",
"As"
],
"chemical_system": "As-Fe-K",
"density": 5.110766066099684,
"density_atomic": 0.05118850262218014,
"volume": 195.35636886684333,
"volume_molar": 11.764635516786123,
"formula_full": "K2 Fe4 As4",
"formula_reduced": "K(FeAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.1843905,
"spacegroup": 139
},
{
"id": "jvasp-108824",
"created_at": "2022-09-04T14:38:12.524362Z",
"updated_at": "2022-09-04T14:38:12.524392Z",
"structure_string": "K1 Fe2 As2\n1.0\n3.611435 -0.017046 -6.501013\n-0.257338 3.602295 -6.501013\n0.015947 0.017046 7.436759\nK Fe As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 K\n0.749999 0.249999 0.499999 Fe\n0.250000 0.749999 0.500000 Fe\n0.649543 0.649542 -0.000002 As\n0.350455 0.350455 -0.000001 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Fe",
"As"
],
"chemical_system": "As-Fe-K",
"density": 5.1190823405682995,
"density_atomic": 0.0512717969134738,
"volume": 97.51950001748509,
"volume_molar": 11.745523119002351,
"formula_full": "K1 Fe2 As2",
"formula_reduced": "K(FeAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.1822525,
"spacegroup": 139
},
{
"id": "jvasp-98298",
"created_at": "2022-09-04T14:38:11.981443Z",
"updated_at": "2022-09-04T14:38:11.981470Z",
"structure_string": "K8 Fe8 As8 O36\n1.0\n5.749918 0.000000 0.000000\n0.000000 8.416593 0.000000\n0.000000 0.000000 18.147980\nK Fe As O\n8 8 8 36\ndirect\n0.750000 0.957226 0.263063 K\n0.250000 0.102493 0.129235 K\n0.750000 0.457226 0.236937 K\n0.750000 0.897506 0.870765 K\n0.250000 0.542773 0.763063 K\n0.250000 0.042774 0.736937 K\n0.250000 0.602493 0.370765 K\n0.750000 0.397506 0.629235 K\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.750000 0.286778 0.429169 Fe\n0.750000 0.786778 0.070831 Fe\n0.250000 0.213222 0.929169 Fe\n0.250000 0.713222 0.570831 Fe\n0.000000 0.500000 0.000000 Fe\n0.750000 0.682144 0.442701 As\n0.250000 0.317856 0.557299 As\n0.250000 0.177627 0.347701 As\n0.750000 0.322372 0.847701 As\n0.750000 0.822372 0.652299 As\n0.250000 0.677627 0.152299 As\n0.250000 0.817856 0.942701 As\n0.750000 0.182144 0.057299 As\n0.993892 0.698695 0.642622 O\n-0.001792 0.273970 0.020075 O\n0.750000 0.686834 0.349736 O\n0.750000 0.492302 0.477149 O\n0.493891 0.801305 0.142622 O\n0.250000 0.578523 0.232546 O\n0.501792 0.773970 0.479925 O\n0.750000 0.921477 0.732546 O\n0.501792 0.273970 0.020075 O\n0.250000 0.507697 0.522851 O\n0.506109 0.198695 0.857378 O\n0.250000 0.313165 0.650264 O\n0.750000 0.547167 0.062112 O\n0.006109 0.801305 0.142622 O\n0.750000 0.992302 0.022851 O\n0.498208 0.226029 0.520075 O\n0.750000 0.047167 0.437888 O\n0.250000 0.007698 0.977149 O\n0.493891 0.301305 0.357378 O\n0.750000 0.464958 0.917753 O\n0.006109 0.301305 0.357378 O\n0.498208 0.726029 0.979925 O\n0.001792 0.726029 0.979925 O\n0.750000 0.421477 0.767454 O\n0.750000 0.186834 0.150264 O\n-0.001792 0.773970 0.479925 O\n0.250000 0.452833 0.937888 O\n0.250000 0.952833 0.562112 O\n0.250000 0.535042 0.082247 O\n0.250000 0.813165 0.849736 O\n0.506109 0.698695 0.642622 O\n0.250000 0.078523 0.267454 O\n0.001792 0.226029 0.520075 O\n0.250000 0.035042 0.417753 O\n0.750000 0.964957 0.582247 O\n0.993892 0.198695 0.857378 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
"K",
"Fe",
"As",
"O"
],
"chemical_system": "As-Fe-K-O",
"density": 3.658312606419128,
"density_atomic": 0.06831640124278991,
"volume": 878.2664032135677,
"volume_molar": 8.815073174885036,
"formula_full": "K8 Fe8 As8 O36",
"formula_reduced": "K2Fe2As2O9",
"formula_anonymous": "A2B2C2D9",
"energy_above_hull": 2.4929354666666668,
"spacegroup": 62
},
{
"id": "jvasp-75874",
"created_at": "2022-09-04T14:35:48.021294Z",
"updated_at": "2022-09-04T14:35:48.021318Z",
"structure_string": "La1 Fe1 As1\n1.0\n-0.000000 3.178828 3.178828\n3.178828 0.000000 3.178828\n3.178828 3.178828 0.000000\nLa Fe As\n1 1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.750000 0.750000 0.750000 Fe\n0.500000 0.500000 0.500000 As\n",
"nsites": 3,
"nelements": 3,
"elements": [
"La",
"Fe",
"As"
],
"chemical_system": "As-Fe-La",
"density": 6.970340299783928,
"density_atomic": 0.04669712786152331,
"volume": 64.24377980796305,
"volume_molar": 12.896169498599976,
"formula_full": "La1 Fe1 As1",
"formula_reduced": "LaFeAs",
"formula_anonymous": "ABC",
"energy_above_hull": 2.1165140833333336,
"spacegroup": 216
},
{
"id": "jvasp-97031",
"created_at": "2022-09-04T14:36:35.569971Z",
"updated_at": "2022-09-04T14:36:35.569998Z",
"structure_string": "La2 Fe2 As2 O2\n1.0\n4.024660 -0.000000 0.000000\n0.000000 4.024660 -0.000000\n0.000000 0.000000 8.562617\nLa Fe As O\n2 2 2 2\ndirect\n0.250000 0.250000 0.146056 La\n0.750000 0.750000 0.853944 La\n0.750000 0.250000 0.500000 Fe\n0.250000 0.750000 0.500000 Fe\n0.250000 0.250000 0.639852 As\n0.750000 0.750000 0.360148 As\n0.750000 0.250000 0.000000 O\n0.250000 0.750000 0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"La",
"Fe",
"As",
"O"
],
"chemical_system": "As-Fe-La-O",
"density": 6.840392924937613,
"density_atomic": 0.05767997631953673,
"volume": 138.69631214273448,
"volume_molar": 10.440608932705555,
"formula_full": "La2 Fe2 As2 O2",
"formula_reduced": "LaFeAsO",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.0223289375,
"spacegroup": 129
}
]
}