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=4075",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=4073",
"results": [
{
"id": "jvasp-111297",
"created_at": "2022-09-04T14:38:49.598453Z",
"updated_at": "2022-09-04T14:38:49.598475Z",
"structure_string": "Sm4 Mg2\n1.0\n7.021448 0.120746 1.805392\n6.024597 3.608261 1.805392\n0.009073 0.002593 7.255624\nSm Mg\n4 2\ndirect\n0.839783 0.839783 0.580086 Sm\n0.160217 0.160217 0.419913 Sm\n0.839789 0.839790 0.080092 Sm\n0.160211 0.160210 0.919907 Sm\n0.499995 0.499994 0.749985 Mg\n0.500006 0.500006 0.250013 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sm",
"Mg"
],
"chemical_system": "Mg-Sm",
"density": 6.047824049509292,
"density_atomic": 0.03361665816209008,
"volume": 178.4829405430393,
"volume_molar": 17.91415652014823,
"formula_full": "Sm4 Mg2",
"formula_reduced": "Sm2Mg",
"formula_anonymous": "AB2",
"energy_above_hull": 0.8353493249999999,
"spacegroup": 139
},
{
"id": "jvasp-117388",
"created_at": "2022-09-04T14:38:27.174393Z",
"updated_at": "2022-09-04T14:38:27.174420Z",
"structure_string": "Cd3 In2 Se6\n1.0\n6.599060 0.023593 4.767432\n2.450042 6.127433 4.767432\n0.034710 0.023593 8.140934\nCd In Se\n3 2 6\ndirect\n0.163587 0.470578 0.861805 Cd\n0.470578 0.861804 0.163587 Cd\n0.861806 0.163586 0.470578 Cd\n0.667431 0.667429 0.667430 In\n-0.000378 -0.000378 -0.000378 In\n0.059204 0.369030 0.682947 Se\n0.369031 0.682947 0.059204 Se\n0.682948 0.059204 0.369031 Se\n0.872589 0.872587 0.872588 Se\n0.228061 0.228061 0.228061 Se\n0.540132 0.540130 0.540131 Se\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Cd",
"In",
"Se"
],
"chemical_system": "Cd-In-Se",
"density": 5.280643821468925,
"density_atomic": 0.033615110138223936,
"volume": 327.2337932188369,
"volume_molar": 17.914981492659724,
"formula_full": "Cd3 In2 Se6",
"formula_reduced": "Cd3(InSe3)2",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 0.3188202924242422,
"spacegroup": 146
},
{
"id": "jvasp-118798",
"created_at": "2022-09-04T14:38:50.096136Z",
"updated_at": "2022-09-04T14:38:50.096165Z",
"structure_string": "Na1 Se2\n1.0\n5.164131 0.000000 -1.102184\n0.000000 3.463785 0.000000\n-0.784933 0.000000 5.157061\nNa Se\n1 2\ndirect\n0.072114 0.000000 0.419685 Na\n-0.168625 0.000000 -0.161560 Se\n0.312754 0.000000 0.000840 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Na",
"Se"
],
"chemical_system": "Na-Se",
"density": 3.3659147210864786,
"density_atomic": 0.033613462099171494,
"volume": 89.24995560257817,
"volume_molar": 17.915859848749214,
"formula_full": "Na1 Se2",
"formula_reduced": "NaSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6868750166666666,
"spacegroup": 10
},
{
"id": "jvasp-107691",
"created_at": "2022-09-04T14:36:51.926367Z",
"updated_at": "2022-09-04T14:36:51.926389Z",
"structure_string": "Sr2 Sn6\n1.0\n6.999783 -0.000000 0.000000\n-3.499891 6.061991 0.000000\n0.000000 -0.000000 5.608990\nSr Sn\n2 6\ndirect\n0.333333 0.666667 0.750000 Sr\n0.666666 0.333333 0.250000 Sr\n0.150247 0.300493 0.250000 Sn\n0.699507 0.849753 0.250000 Sn\n0.150247 0.849753 0.250000 Sn\n0.849753 0.699507 0.750000 Sn\n0.300493 0.150247 0.750000 Sn\n0.849753 0.150247 0.750000 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sr",
"Sn"
],
"chemical_system": "Sn-Sr",
"density": 6.192028256659491,
"density_atomic": 0.033612859280574406,
"volume": 238.0041499362529,
"volume_molar": 17.91618115475325,
"formula_full": "Sr2 Sn6",
"formula_reduced": "SrSn3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.27177085,
"spacegroup": 194
},
{
"id": "jvasp-107191",
"created_at": "2022-09-04T14:38:47.054799Z",
"updated_at": "2022-09-04T14:38:47.054826Z",
"structure_string": "Lu6 Th2\n1.0\n7.007651 -0.000000 0.000000\n-3.503825 6.068804 0.000000\n-0.000000 0.000000 5.596733\nLu Th\n6 2\ndirect\n0.166072 0.332145 0.250000 Lu\n0.667854 0.833927 0.250000 Lu\n0.166072 0.833927 0.250000 Lu\n0.833926 0.667854 0.750000 Lu\n0.332145 0.166073 0.750000 Lu\n0.833927 0.166073 0.750000 Lu\n0.333333 0.666666 0.750000 Th\n0.666666 0.333333 0.250000 Th\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Lu",
"Th"
],
"chemical_system": "Lu-Th",
"density": 10.56160314228664,
"density_atomic": 0.03361087525121954,
"volume": 238.01819917527223,
"volume_molar": 17.917238735940067,
"formula_full": "Lu6 Th2",
"formula_reduced": "Lu3Th",
"formula_anonymous": "AB3",
"energy_above_hull": 1.8465807125000004,
"spacegroup": 194
},
{
"id": "jvasp-119053",
"created_at": "2022-09-04T14:38:33.438428Z",
"updated_at": "2022-09-04T14:38:33.438450Z",
"structure_string": "K4 Hg24\n1.0\n5.434751 0.000000 0.000000\n0.000000 10.710299 0.000000\n-0.000000 -0.000000 14.312466\nK Hg\n4 24\ndirect\n0.250000 0.147308 0.825130 K\n0.250000 0.352692 0.325130 K\n0.750000 0.852692 0.174870 K\n0.750000 0.647308 0.674870 K\n0.250000 0.597584 0.493208 Hg\n0.250000 0.902416 -0.006792 Hg\n0.750000 0.006627 0.638467 Hg\n0.750000 0.493373 0.138467 Hg\n0.250000 -0.006627 0.361533 Hg\n0.250000 0.506627 0.861533 Hg\n0.750000 0.282041 0.706262 Hg\n0.750000 0.217959 0.206262 Hg\n0.250000 0.717959 0.293738 Hg\n0.250000 0.782041 0.793738 Hg\n0.750000 0.917132 0.843755 Hg\n0.250000 0.082868 0.156246 Hg\n0.750000 0.097584 0.006792 Hg\n0.250000 0.417132 0.656246 Hg\n0.750000 0.357284 0.917963 Hg\n0.750000 0.142716 0.417963 Hg\n0.250000 0.642717 0.082037 Hg\n0.250000 0.857284 0.582038 Hg\n0.750000 0.654630 0.944079 Hg\n0.750000 0.845370 0.444079 Hg\n0.250000 0.345370 0.055921 Hg\n0.250000 0.154630 0.555921 Hg\n0.750000 0.582868 0.343754 Hg\n0.750000 0.402416 0.506792 Hg\n",
"nsites": 28,
"nelements": 2,
"elements": [
"K",
"Hg"
],
"chemical_system": "Hg-K",
"density": 9.907363774823796,
"density_atomic": 0.03360952053642045,
"volume": 833.0972758048787,
"volume_molar": 17.917960934534005,
"formula_full": "K4 Hg24",
"formula_reduced": "KHg6",
"formula_anonymous": "AB6",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-81504",
"created_at": "2022-09-04T14:37:18.677290Z",
"updated_at": "2022-09-04T14:37:18.677321Z",
"structure_string": "K2 Fe2\n1.0\n0.652470 0.000000 -4.039901\n-3.227681 -4.948825 1.554024\n-3.227681 4.948825 1.554024\nK Fe\n2 2\ndirect\n0.250001 0.159156 0.840844 K\n0.750001 0.840844 0.159156 K\n0.250001 0.539266 0.460734 Fe\n0.750001 0.460734 0.539266 Fe\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Fe"
],
"chemical_system": "Fe-K",
"density": 2.6491472485795593,
"density_atomic": 0.03360645275743737,
"volume": 119.02476077647822,
"volume_molar": 17.919596583031968,
"formula_full": "K2 Fe2",
"formula_reduced": "KFe",
"formula_anonymous": "AB",
"energy_above_hull": 1.2741717499999998,
"spacegroup": 74
},
{
"id": "jvasp-2100",
"created_at": "2022-09-04T14:36:55.197473Z",
"updated_at": "2022-09-04T14:36:55.197492Z",
"structure_string": "Ba2 S4\n1.0\n4.579470 -0.000000 1.369528\n2.221502 4.672990 0.912923\n-0.000962 0.032631 8.344463\nBa S\n2 4\ndirect\n0.142109 0.250000 0.750000 Ba\n0.857891 0.750000 0.250000 Ba\n0.482936 0.300491 0.022259 S\n0.805686 0.199509 0.477741 S\n0.194314 0.800491 0.522258 S\n0.517064 0.699509 0.977741 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ba",
"S"
],
"chemical_system": "Ba-S",
"density": 3.7473854090648655,
"density_atomic": 0.03360610317312018,
"volume": 178.53899838048156,
"volume_molar": 17.919782989944533,
"formula_full": "Ba2 S4",
"formula_reduced": "BaS2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9161700000000002,
"spacegroup": 15
},
{
"id": "jvasp-12977",
"created_at": "2022-09-04T14:37:06.693854Z",
"updated_at": "2022-09-04T14:37:06.693884Z",
"structure_string": "Pd2 Pb4 Br12\n1.0\n0.000000 8.362248 0.009271\n6.711787 0.000000 0.000000\n0.000000 -0.131217 -9.543643\nPd Pb Br\n2 4 12\ndirect\n0.500000 0.500000 0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n0.383336 0.956922 0.722967 Pb\n0.116664 0.456922 0.277033 Pb\n0.616664 0.043078 0.277033 Pb\n0.883336 0.543078 0.722967 Pb\n0.026271 0.116217 0.754533 Br\n0.473729 0.616217 0.245467 Br\n0.973729 0.883783 0.245467 Br\n0.526271 0.383783 0.754533 Br\n0.345372 0.194720 0.053956 Br\n0.825984 0.352708 0.440561 Br\n0.674015 0.852708 0.559439 Br\n0.654627 0.805281 0.946044 Br\n0.325984 0.147292 0.440561 Br\n0.174015 0.647293 0.559439 Br\n0.154627 0.694720 0.946044 Br\n0.845372 0.305280 0.053956 Br\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Pd",
"Pb",
"Br"
],
"chemical_system": "Br-Pb-Pd",
"density": 6.201778826853014,
"density_atomic": 0.033604986946727866,
"volume": 535.6347862456964,
"volume_molar": 17.920378215133866,
"formula_full": "Pd2 Pb4 Br12",
"formula_reduced": "Pd(PbBr3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.1347568855555556,
"spacegroup": 14
},
{
"id": "jvasp-21680",
"created_at": "2022-09-04T14:38:31.386177Z",
"updated_at": "2022-09-04T14:38:31.386197Z",
"structure_string": "Ca6 Hg4\n1.0\n8.503955 -0.000000 0.000000\n-0.000000 8.503955 0.000000\n-0.000000 -0.000000 4.114879\nCa Hg\n6 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 Ca\n0.654060 0.154061 0.500000 Ca\n0.154061 0.345939 0.500000 Ca\n0.845939 0.654060 0.500000 Ca\n0.345939 0.845939 0.500000 Ca\n0.855936 0.355936 0.000000 Hg\n0.355936 0.144063 0.000000 Hg\n0.644063 0.855936 0.000000 Hg\n0.144063 0.644063 0.000000 Hg\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ca",
"Hg"
],
"chemical_system": "Ca-Hg",
"density": 5.81919358681838,
"density_atomic": 0.03360477749122581,
"volume": 297.57673600460515,
"volume_molar": 17.920489911210925,
"formula_full": "Ca6 Hg4",
"formula_reduced": "Ca3Hg2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.0,
"spacegroup": 127
},
{
"id": "jvasp-54491",
"created_at": "2022-09-04T14:38:36.670920Z",
"updated_at": "2022-09-04T14:38:36.670946Z",
"structure_string": "Rb8 Zn4 Cl16\n1.0\n7.137058 0.000000 0.000000\n0.000000 9.297487 0.000000\n0.000000 0.000000 12.557915\nRb Zn Cl\n8 4 16\ndirect\n0.749264 0.871702 0.911510 Rb\n0.249264 0.478371 0.826962 Rb\n0.749264 0.521630 0.173038 Rb\n0.249264 0.978371 0.673037 Rb\n0.249264 0.628299 0.411510 Rb\n0.249264 0.128298 0.088490 Rb\n0.749264 0.371702 0.588490 Rb\n0.749264 0.021630 0.326962 Rb\n0.249361 0.726967 0.076755 Zn\n0.249361 0.226967 0.423245 Zn\n0.749361 0.773033 0.576755 Zn\n0.749361 0.273033 0.923245 Zn\n0.492102 0.173628 0.846093 Cl\n0.249185 0.313360 0.594060 Cl\n0.249526 0.983587 0.406860 Cl\n0.749185 0.186640 0.094061 Cl\n0.492102 0.673628 0.653906 Cl\n0.249526 0.483587 0.093140 Cl\n0.749185 0.686641 0.405939 Cl\n-0.007898 0.826373 0.153906 Cl\n0.249185 0.813360 0.905939 Cl\n-0.007898 0.326372 0.346094 Cl\n0.006699 0.673502 0.653726 Cl\n0.749527 0.016413 0.593140 Cl\n0.006699 0.173502 0.846273 Cl\n0.506699 0.826498 0.153726 Cl\n0.749527 0.516413 0.906860 Cl\n0.506699 0.326498 0.346273 Cl\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Rb",
"Zn",
"Cl"
],
"chemical_system": "Cl-Rb-Zn",
"density": 3.014244161185938,
"density_atomic": 0.03360126952950181,
"volume": 833.3018481761854,
"volume_molar": 17.92236080458978,
"formula_full": "Rb8 Zn4 Cl16",
"formula_reduced": "Rb2ZnCl4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.775557561562892e-17,
"spacegroup": 62
},
{
"id": "jvasp-111045",
"created_at": "2022-09-04T14:38:37.188628Z",
"updated_at": "2022-09-04T14:38:37.188655Z",
"structure_string": "Hg1 Pb2\n1.0\n3.559696 0.081742 0.176080\n1.722057 3.116511 0.176080\n-0.440994 -0.267035 8.122066\nHg Pb\n1 2\ndirect\n0.000000 0.000000 0.000000 Hg\n0.667474 0.667472 0.674084 Pb\n0.332529 0.332528 0.325916 Pb\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Hg",
"Pb"
],
"chemical_system": "Hg-Pb",
"density": 11.437879063730833,
"density_atomic": 0.033600798911257605,
"volume": 89.28359137897999,
"volume_molar": 17.92261182808467,
"formula_full": "Hg1 Pb2",
"formula_reduced": "HgPb2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1829393444444444,
"spacegroup": 164
}
]
}