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=volume_molar&page=4160",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=4158",
"results": [
{
"id": "jvasp-36956",
"created_at": "2022-09-04T14:38:01.656536Z",
"updated_at": "2022-09-04T14:38:01.656557Z",
"structure_string": "In2 Sn2 Cl6\n1.0\n-7.024037 -0.000039 3.949242\n-4.622267 6.600626 0.000024\n-6.440260 0.408792 -3.233481\nIn Sn Cl\n2 2 6\ndirect\n0.892817 0.892816 0.321552 In\n0.107184 0.107185 0.678449 In\n0.649961 0.649960 0.050120 Sn\n0.350039 0.350040 0.949881 Sn\n0.503587 0.734354 0.744184 Cl\n0.017874 0.503588 0.744184 Cl\n0.734354 0.017875 0.744183 Cl\n0.496413 0.265646 0.255818 Cl\n0.265645 0.982125 0.255817 Cl\n0.982124 0.496413 0.255819 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"In",
"Sn",
"Cl"
],
"chemical_system": "Cl-In-Sn",
"density": 3.6373471061501363,
"density_atomic": 0.03222338052615215,
"volume": 310.33367190894535,
"volume_molar": 18.68873054803327,
"formula_full": "In2 Sn2 Cl6",
"formula_reduced": "InSnCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-52533",
"created_at": "2022-09-04T14:38:07.371115Z",
"updated_at": "2022-09-04T14:38:07.371140Z",
"structure_string": "Ba6 Br4 O4\n1.0\n0.000000 7.471254 -0.028817\n8.215894 0.000000 0.000000\n0.000000 -3.224382 -7.065624\nBa Br O\n6 4 4\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.405759 0.879085 0.769095 Ba\n0.594241 0.379085 0.730905 Ba\n0.405759 0.620915 0.269095 Ba\n0.594241 0.120915 0.230905 Ba\n0.185127 0.346404 0.926190 Br\n0.185127 0.153596 0.426190 Br\n0.814872 0.846404 0.573810 Br\n0.814872 0.653596 0.073810 Br\n0.341341 0.612496 0.567277 O\n0.658659 0.112497 0.932723 O\n0.341341 0.887503 0.067277 O\n0.658659 0.387503 0.432723 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"Br",
"O"
],
"chemical_system": "Ba-Br-O",
"density": 4.615309406742133,
"density_atomic": 0.032222959847103196,
"volume": 434.47281275306506,
"volume_molar": 18.688974534229146,
"formula_full": "Ba6 Br4 O4",
"formula_reduced": "Ba3(BrO)2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 0.3384889214285713,
"spacegroup": 14
},
{
"id": "jvasp-3495",
"created_at": "2022-09-04T14:36:16.666542Z",
"updated_at": "2022-09-04T14:36:16.666568Z",
"structure_string": "In2 Cu2 Te4\n1.0\n5.731973 -0.000000 -2.561264\n-1.144470 5.616556 -2.561264\n0.005176 0.006337 7.706142\nIn Cu Te\n2 2 4\ndirect\n0.500000 0.500000 0.000001 In\n0.750000 0.250000 0.500001 In\n0.000000 0.000000 0.000000 Cu\n0.250000 0.750001 0.500001 Cu\n0.340652 0.375000 0.250000 Te\n0.125001 0.659349 0.750001 Te\n0.625000 0.090652 0.750000 Te\n0.909348 0.875001 0.250001 Te\n",
"nsites": 8,
"nelements": 3,
"elements": [
"In",
"Cu",
"Te"
],
"chemical_system": "Cu-In-Te",
"density": 5.799565675441726,
"density_atomic": 0.03222204874615435,
"volume": 248.2771987288607,
"volume_molar": 18.689502978046153,
"formula_full": "In2 Cu2 Te4",
"formula_reduced": "InCuTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1654214883333333,
"spacegroup": 122
},
{
"id": "jvasp-101016",
"created_at": "2022-09-04T14:36:41.666294Z",
"updated_at": "2022-09-04T14:36:41.666315Z",
"structure_string": "Sm2 Ho6\n1.0\n7.144966 -0.000000 0.000000\n-3.572483 6.187723 0.000000\n-0.000000 -0.000000 5.616082\nSm Ho\n2 6\ndirect\n0.333334 0.666666 0.750000 Sm\n0.666667 0.333333 0.250000 Sm\n0.165816 0.331631 0.250000 Ho\n0.668370 0.834184 0.250000 Ho\n0.165816 0.834184 0.250000 Ho\n0.834185 0.668369 0.750000 Ho\n0.331631 0.165815 0.750000 Ho\n0.834185 0.165815 0.750000 Ho\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sm",
"Ho"
],
"chemical_system": "Ho-Sm",
"density": 8.629308003158553,
"density_atomic": 0.0322199985407285,
"volume": 248.29299696855657,
"volume_molar": 18.69069221833626,
"formula_full": "Sm2 Ho6",
"formula_reduced": "SmHo3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.43286139375,
"spacegroup": 194
},
{
"id": "jvasp-87992",
"created_at": "2022-09-04T14:36:15.062624Z",
"updated_at": "2022-09-04T14:36:15.062644Z",
"structure_string": "Te8 Mo2 Br2\n1.0\n6.710467 0.002891 -1.538013\n-2.309138 6.919442 -3.073602\n0.005085 0.053701 7.990969\nTe Mo Br\n8 2 2\ndirect\n0.879591 0.668248 0.827251 Te\n0.037598 0.888372 0.232578 Te\n0.962403 0.111627 0.767423 Te\n0.538008 0.238349 0.931986 Te\n0.611295 0.144826 0.311082 Te\n0.388706 0.855174 0.688918 Te\n0.120409 0.331751 0.172750 Te\n0.461993 0.761651 0.068015 Te\n0.781610 0.999804 0.001499 Mo\n0.218391 0.000195 0.998501 Mo\n0.743716 0.598435 0.415631 Br\n0.256284 0.401565 0.584370 Br\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Te",
"Mo",
"Br"
],
"chemical_system": "Br-Mo-Te",
"density": 6.119164472013755,
"density_atomic": 0.03221927168481705,
"volume": 372.4478975623418,
"volume_molar": 18.691113874054025,
"formula_full": "Te8 Mo2 Br2",
"formula_reduced": "Te4MoBr",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.7278285119444452,
"spacegroup": 2
},
{
"id": "jvasp-36460",
"created_at": "2022-09-04T14:37:28.433762Z",
"updated_at": "2022-09-04T14:37:28.433777Z",
"structure_string": "Ca3 As1 N1\n1.0\n5.373896 0.000000 0.000000\n0.000000 5.373896 -0.000000\n0.000000 0.000000 5.373896\nCa As N\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"As",
"N"
],
"chemical_system": "As-Ca-N",
"density": 2.2380239726866686,
"density_atomic": 0.032218271152189275,
"volume": 155.19144327706246,
"volume_molar": 18.691694323240515,
"formula_full": "Ca3 As1 N1",
"formula_reduced": "Ca3AsN",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.3415992519999995,
"spacegroup": 221
},
{
"id": "jvasp-56040",
"created_at": "2022-09-04T14:37:16.449463Z",
"updated_at": "2022-09-04T14:37:16.449491Z",
"structure_string": "Tl2 Sn4 Br10\n1.0\n7.461871 0.000000 -3.753848\n-1.888451 7.218954 -3.753848\n-0.021749 -0.028170 9.250020\nTl Sn Br\n2 4 10\ndirect\n0.250000 0.250000 0.500000 Tl\n0.750000 0.750000 0.499999 Tl\n0.671390 0.828609 -0.000001 Sn\n0.828609 0.328610 -0.000000 Sn\n0.171389 0.671390 -0.000000 Sn\n0.328610 0.171389 -0.000000 Sn\n0.018321 0.203035 0.721356 Br\n0.203035 0.703035 0.721355 Br\n0.500000 0.500000 -0.000000 Br\n0.518321 0.018322 0.721356 Br\n0.981678 0.796964 0.278643 Br\n0.703035 0.518321 0.721355 Br\n0.796965 0.296965 0.278644 Br\n0.481678 0.981678 0.278644 Br\n0.000000 0.000000 0.000000 Br\n0.296965 0.481678 0.278644 Br\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Tl",
"Sn",
"Br"
],
"chemical_system": "Br-Sn-Tl",
"density": 5.625420823873233,
"density_atomic": 0.03221313475788151,
"volume": 496.6918035223293,
"volume_molar": 18.694674719685814,
"formula_full": "Tl2 Sn4 Br10",
"formula_reduced": "TlSn2Br5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.0,
"spacegroup": 140
},
{
"id": "jvasp-104957",
"created_at": "2022-09-04T14:36:50.185199Z",
"updated_at": "2022-09-04T14:36:50.185221Z",
"structure_string": "In1 Cu1 Te2\n1.0\n4.452981 -0.000000 0.000000\n0.000000 4.452981 0.000000\n-0.000000 -0.000000 6.263188\nIn Cu Te\n1 1 2\ndirect\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Cu\n-0.000000 0.500000 0.215814 Te\n0.500000 0.000000 0.784187 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"In",
"Cu",
"Te"
],
"chemical_system": "Cu-In-Te",
"density": 5.797025085495353,
"density_atomic": 0.03220793337654267,
"volume": 124.19300404145879,
"volume_molar": 18.697693793622843,
"formula_full": "In1 Cu1 Te2",
"formula_reduced": "InCuTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1639164883333333,
"spacegroup": 115
},
{
"id": "jvasp-23896",
"created_at": "2022-09-04T14:37:44.371108Z",
"updated_at": "2022-09-04T14:37:44.371138Z",
"structure_string": "Sm8 Bi6\n1.0\n7.792700 -0.000000 -2.755136\n-3.896350 6.748676 -2.755136\n0.000000 0.000000 8.265407\nSm Bi\n8 6\ndirect\n0.144750 0.144750 0.144750 Sm\n0.855250 0.500000 -0.000001 Sm\n0.000000 0.855251 0.500000 Sm\n0.500000 0.000000 0.855250 Sm\n0.000000 0.355250 0.500000 Sm\n0.500000 0.000000 0.355250 Sm\n0.355250 0.500000 -0.000000 Sm\n0.644750 0.644750 0.644750 Sm\n0.250000 0.625000 0.375000 Bi\n0.375000 0.250000 0.625000 Bi\n0.125000 0.750000 0.875000 Bi\n0.875000 0.125000 0.750000 Bi\n0.625000 0.375000 0.250000 Bi\n0.750000 0.875001 0.124999 Bi\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Sm",
"Bi"
],
"chemical_system": "Bi-Sm",
"density": 9.385155545342911,
"density_atomic": 0.03220751785981165,
"volume": 434.6811219957163,
"volume_molar": 18.69793501694954,
"formula_full": "Sm8 Bi6",
"formula_reduced": "Sm4Bi3",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.3183169142857143,
"spacegroup": 220
},
{
"id": "jvasp-100808",
"created_at": "2022-09-04T14:36:42.765787Z",
"updated_at": "2022-09-04T14:36:42.765809Z",
"structure_string": "Sn2 Ge1 Te3\n1.0\n4.440485 -0.000000 0.000000\n-2.220243 3.845572 0.000000\n0.000000 0.000000 10.910865\nSn Ge Te\n2 1 3\ndirect\n0.333333 0.666666 0.826229 Sn\n0.666666 0.333333 0.173772 Sn\n0.000000 0.000000 0.500000 Ge\n0.333333 0.666666 0.347812 Te\n0.666666 0.333333 0.652189 Te\n0.000000 0.000000 0.000000 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sn",
"Ge",
"Te"
],
"chemical_system": "Ge-Sn-Te",
"density": 6.175100786923658,
"density_atomic": 0.032203324907391556,
"volume": 186.31616509333898,
"volume_molar": 18.700369534258098,
"formula_full": "Sn2 Ge1 Te3",
"formula_reduced": "Sn2GeTe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.7692154416666668,
"spacegroup": 164
},
{
"id": "jvasp-39921",
"created_at": "2022-09-04T14:37:43.427491Z",
"updated_at": "2022-09-04T14:37:43.427511Z",
"structure_string": "Ca1 Bi3\n1.0\n4.989708 0.000000 0.000000\n0.000000 4.989708 -0.000000\n-0.000000 -0.000000 4.989708\nCa Bi\n1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Bi\n0.500000 0.000000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Bi"
],
"chemical_system": "Bi-Ca",
"density": 8.915835332819208,
"density_atomic": 0.032198422705537515,
"volume": 124.2296877887772,
"volume_molar": 18.70321666087174,
"formula_full": "Ca1 Bi3",
"formula_reduced": "CaBi3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5644151875000001,
"spacegroup": 221
},
{
"id": "jvasp-111037",
"created_at": "2022-09-04T14:38:37.560772Z",
"updated_at": "2022-09-04T14:38:37.560795Z",
"structure_string": "La1 Ce1\n1.0\n3.362108 -0.006351 5.137922\n1.526929 2.995380 5.137922\n-0.010388 -0.006351 6.140187\nLa Ce\n1 1\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Ce\n",
"nsites": 2,
"nelements": 2,
"elements": [
"La",
"Ce"
],
"chemical_system": "Ce-La",
"density": 7.4590236782798645,
"density_atomic": 0.03219773054618158,
"volume": 62.116179186336645,
"volume_molar": 18.703618726675074,
"formula_full": "La1 Ce1",
"formula_reduced": "LaCe",
"formula_anonymous": "AB",
"energy_above_hull": 1.3537502500000005,
"spacegroup": 166
}
]
}