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=615",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=613",
"results": [
{
"id": "jvasp-100500",
"created_at": "2022-09-04T14:36:37.686996Z",
"updated_at": "2022-09-04T14:36:37.687013Z",
"structure_string": "Pr3 Zn1\n1.0\n4.423766 0.004955 -4.162123\n-0.822910 4.346556 -4.162123\n-0.004100 -0.004955 6.073958\nPr Zn\n3 1\ndirect\n0.750001 0.250000 0.500001 Pr\n0.250000 0.750001 0.500002 Pr\n0.500000 0.500000 0.000001 Pr\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pr",
"Zn"
],
"chemical_system": "Pr-Zn",
"density": 6.94965563276986,
"density_atomic": 0.03429548462749063,
"volume": 116.63342983623195,
"volume_molar": 17.559573294884313,
"formula_full": "Pr3 Zn1",
"formula_reduced": "Pr3Zn",
"formula_anonymous": "AB3",
"energy_above_hull": 1.214675895,
"spacegroup": 139
},
{
"id": "jvasp-117970",
"created_at": "2022-09-04T14:38:49.198922Z",
"updated_at": "2022-09-04T14:38:49.198947Z",
"structure_string": "Ca3 C1\n1.0\n3.713701 -0.603095 0.608089\n-0.791062 -5.066492 -0.193146\n-0.475778 2.908732 -6.088443\nCa C\n3 1\ndirect\n0.115892 0.103693 0.062150 Ca\n0.478058 0.465178 0.785259 Ca\n0.753768 0.742216 0.339065 Ca\n0.115919 0.603688 0.062170 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"C"
],
"chemical_system": "C-Ca",
"density": 1.8828983541941504,
"density_atomic": 0.03429726538650865,
"volume": 116.62737407552792,
"volume_molar": 17.558661578800102,
"formula_full": "Ca3 C1",
"formula_reduced": "Ca3C",
"formula_anonymous": "AB3",
"energy_above_hull": 1.205567815,
"spacegroup": 71
},
{
"id": "jvasp-36917",
"created_at": "2022-09-04T14:37:55.472016Z",
"updated_at": "2022-09-04T14:37:55.472037Z",
"structure_string": "Ba1 Zr1 Se3\n1.0\n5.257269 -0.001632 -0.003318\n0.001912 5.264279 -0.002774\n0.004540 0.007212 5.267448\nBa Zr Se\n1 1 3\ndirect\n0.987338 0.995755 0.992104 Ba\n0.487116 0.490813 0.486954 Zr\n0.488975 0.998977 0.506305 Se\n0.987951 0.508235 0.507776 Se\n0.488615 0.506220 0.996867 Se\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Se"
],
"chemical_system": "Ba-Se-Zr",
"density": 5.3015693963324075,
"density_atomic": 0.03429809914321909,
"volume": 145.78067370793423,
"volume_molar": 17.55823474313622,
"formula_full": "Ba1 Zr1 Se3",
"formula_reduced": "BaZrSe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.421578114,
"spacegroup": 38
},
{
"id": "jvasp-93525",
"created_at": "2022-09-04T14:36:01.458649Z",
"updated_at": "2022-09-04T14:36:01.458682Z",
"structure_string": "Ca2 Mg4\n1.0\n3.541577 0.000000 0.000000\n-1.770789 3.067096 0.000000\n-0.000000 -0.000000 16.102171\nCa Mg\n2 4\ndirect\n0.666668 0.333333 0.100428 Ca\n0.333333 0.666668 0.899572 Ca\n0.333333 0.666668 0.272134 Mg\n0.666668 0.333333 0.424503 Mg\n0.333333 0.666668 0.575497 Mg\n0.666668 0.333333 0.727866 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.6839743101062417,
"density_atomic": 0.03430384156319311,
"volume": 174.90752424759918,
"volume_molar": 17.55529551670259,
"formula_full": "Ca2 Mg4",
"formula_reduced": "CaMg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1926074999999999,
"spacegroup": 164
},
{
"id": "jvasp-86851",
"created_at": "2022-09-04T14:35:51.589520Z",
"updated_at": "2022-09-04T14:35:51.589548Z",
"structure_string": "Nd6 Mn2 Bi10\n1.0\n9.652815 -0.000000 0.000000\n-4.826407 8.359583 0.000000\n0.000000 0.000000 6.501817\nNd Mn Bi\n6 2 10\ndirect\n-0.000000 0.380737 0.750000 Nd\n0.619263 0.000000 0.250000 Nd\n0.619263 0.619262 0.750000 Nd\n-0.000000 0.619262 0.250000 Nd\n0.380738 0.380737 0.250000 Nd\n0.380738 0.000000 0.750000 Nd\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n-0.000000 0.252876 0.250000 Bi\n0.747124 0.747124 0.250000 Bi\n-0.000000 0.747124 0.750000 Bi\n0.747124 0.000000 0.750000 Bi\n0.666667 0.333333 0.000000 Bi\n0.333333 0.666667 0.500000 Bi\n0.252876 0.000000 0.250000 Bi\n0.333333 0.666667 0.000000 Bi\n0.252876 0.252876 0.750000 Bi\n0.666667 0.333333 0.500000 Bi\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Nd",
"Mn",
"Bi"
],
"chemical_system": "Bi-Mn-Nd",
"density": 9.701188733361374,
"density_atomic": 0.03430829742847129,
"volume": 524.6544232492987,
"volume_molar": 17.55301548424385,
"formula_full": "Nd6 Mn2 Bi10",
"formula_reduced": "Nd3MnBi5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.7350236934865904,
"spacegroup": 193
},
{
"id": "jvasp-86249",
"created_at": "2022-09-04T14:35:43.154988Z",
"updated_at": "2022-09-04T14:35:43.155013Z",
"structure_string": "Nd6 Mn2 Bi10\n1.0\n9.652814 -0.000000 -0.000000\n-4.826406 8.359581 -0.000000\n0.000000 -0.000000 6.501816\nNd Mn Bi\n6 2 10\ndirect\n-0.000000 0.380737 0.750000 Nd\n0.619262 0.000000 0.250000 Nd\n0.619262 0.619262 0.750000 Nd\n-0.000000 0.619262 0.250000 Nd\n0.380737 0.380737 0.250000 Nd\n0.380737 0.000000 0.750000 Nd\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n-0.000000 0.252876 0.250000 Bi\n0.747123 0.747124 0.250000 Bi\n-0.000000 0.747124 0.750000 Bi\n0.747124 0.000000 0.750000 Bi\n0.666667 0.333333 0.000000 Bi\n0.333333 0.666667 0.500000 Bi\n0.252876 0.000000 0.250000 Bi\n0.333333 0.666667 0.000000 Bi\n0.252876 0.252876 0.750000 Bi\n0.666667 0.333333 0.500000 Bi\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Nd",
"Mn",
"Bi"
],
"chemical_system": "Bi-Mn-Nd",
"density": 9.70119355142218,
"density_atomic": 0.03430831446756492,
"volume": 524.6541626816788,
"volume_molar": 17.553006766605606,
"formula_full": "Nd6 Mn2 Bi10",
"formula_reduced": "Nd3MnBi5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.7350236934865904,
"spacegroup": 193
},
{
"id": "jvasp-104501",
"created_at": "2022-09-04T14:37:05.304223Z",
"updated_at": "2022-09-04T14:37:05.304247Z",
"structure_string": "K2 Na1 Y1 Cl6\n1.0\n6.445021 -0.000000 3.721034\n2.148340 6.076424 3.721034\n-0.000000 -0.000000 7.442069\nK Na Y Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Y\n0.752326 0.247674 0.247673 Cl\n0.247674 0.247674 0.752326 Cl\n0.247674 0.752326 0.752326 Cl\n0.247674 0.752326 0.247674 Cl\n0.752326 0.247674 0.752326 Cl\n0.752326 0.752326 0.247673 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Na",
"Y",
"Cl"
],
"chemical_system": "Cl-K-Na-Y",
"density": 2.2950041650266866,
"density_atomic": 0.034311041452863615,
"volume": 291.45136890519524,
"volume_molar": 17.55161168241773,
"formula_full": "K2 Na1 Y1 Cl6",
"formula_reduced": "K2NaYCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-106682",
"created_at": "2022-09-04T14:36:53.227082Z",
"updated_at": "2022-09-04T14:36:53.227105Z",
"structure_string": "Zr1 Ta1 Te4\n1.0\n3.845868 -0.000000 0.000000\n-1.922934 3.330619 0.000000\n0.000000 -0.000000 13.651783\nZr Ta Te\n1 1 4\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Ta\n0.333334 0.666667 0.870764 Te\n0.333334 0.666667 0.363596 Te\n0.666667 0.333333 0.636404 Te\n0.666667 0.333333 0.129236 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Ta",
"Te"
],
"chemical_system": "Ta-Te-Zr",
"density": 7.431297196849238,
"density_atomic": 0.034311724385715205,
"volume": 174.86734075358638,
"volume_molar": 17.551262339083028,
"formula_full": "Zr1 Ta1 Te4",
"formula_reduced": "ZrTaTe4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.6127007944444447,
"spacegroup": 164
},
{
"id": "jvasp-39290",
"created_at": "2022-09-04T14:37:55.956795Z",
"updated_at": "2022-09-04T14:37:55.956816Z",
"structure_string": "Ge1 Bi3\n1.0\n0.000000 3.877296 3.877296\n3.877296 -0.000000 3.877296\n3.877296 3.877296 -0.000000\nGe Bi\n1 3\ndirect\n0.750001 0.750001 0.750001 Ge\n0.000000 0.000000 0.000000 Bi\n0.500001 0.500001 0.500001 Bi\n0.250000 0.250000 0.250000 Bi\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ge",
"Bi"
],
"chemical_system": "Bi-Ge",
"density": 9.964840703075572,
"density_atomic": 0.034311770176577945,
"volume": 116.57807158927925,
"volume_molar": 17.551238915999914,
"formula_full": "Ge1 Bi3",
"formula_reduced": "GeBi3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.9367597125,
"spacegroup": 225
},
{
"id": "jvasp-28942",
"created_at": "2022-09-04T14:37:56.244829Z",
"updated_at": "2022-09-04T14:37:56.244838Z",
"structure_string": "Te2 Mo2 W2 Se4 S2\n1.0\n3.345227 -0.000011 -0.000017\n-1.672623 2.897048 -0.000103\n-0.000185 -0.001361 36.083224\nTe Mo W Se S\n2 2 2 4 2\ndirect\n0.666651 0.333306 0.418676 Te\n0.666719 0.333394 0.524107 Te\n0.333300 0.666621 0.095295 Mo\n0.333341 0.666682 0.471366 Mo\n0.666650 0.333309 0.277791 W\n0.666702 0.333383 0.658438 W\n0.333358 0.666699 0.324254 Se\n0.666591 0.333233 0.049137 Se\n0.666664 0.333331 0.141507 Se\n0.333288 0.666605 0.231347 Se\n0.333395 0.666750 0.700676 S\n0.333348 0.666696 0.616153 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.673265038269282,
"density_atomic": 0.034315904655663955,
"volume": 349.6920777817629,
"volume_molar": 17.549124292155376,
"formula_full": "Te2 Mo2 W2 Se4 S2",
"formula_reduced": "TeMoWSe2S",
"formula_anonymous": "ABCDE2",
"energy_above_hull": 3.526861733333334,
"spacegroup": 156
},
{
"id": "jvasp-12975",
"created_at": "2022-09-04T14:37:14.805982Z",
"updated_at": "2022-09-04T14:37:14.806016Z",
"structure_string": "Ba4 S6\n1.0\n5.650368 0.000000 -2.021845\n-0.723468 5.603860 -2.021845\n0.081981 0.093246 9.135458\nBa S\n4 6\ndirect\n0.953360 0.453360 0.906720 Ba\n0.203360 0.203360 0.406720 Ba\n0.552289 0.052289 0.104577 Ba\n0.802289 0.802289 0.604577 Ba\n0.962961 0.640586 0.281172 S\n0.390586 0.212962 0.781173 S\n0.390586 0.568213 0.781173 S\n0.318212 0.640586 0.281173 S\n0.000379 0.000379 0.000757 S\n0.750379 0.250379 0.500757 S\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ba",
"S"
],
"chemical_system": "Ba-S",
"density": 4.226636444988405,
"density_atomic": 0.03431774067324211,
"volume": 291.39447422298116,
"volume_molar": 17.54818540456984,
"formula_full": "Ba4 S6",
"formula_reduced": "Ba2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.2136520000000002,
"spacegroup": 109
},
{
"id": "jvasp-13102",
"created_at": "2022-09-04T14:36:33.891055Z",
"updated_at": "2022-09-04T14:36:33.891070Z",
"structure_string": "Sr4 Ge2 Se8\n1.0\n6.470753 0.012054 0.000000\n-2.179577 6.092638 0.000000\n0.000000 -0.000000 10.340679\nSr Ge Se\n4 2 8\ndirect\n0.747196 0.362456 0.250000 Sr\n0.362456 0.747197 0.750000 Sr\n0.001525 0.001525 0.500000 Sr\n0.001525 0.001525 0.000000 Sr\n0.759984 0.312354 0.750000 Ge\n0.312353 0.759984 0.250000 Ge\n0.264307 0.114348 0.250000 Se\n0.114348 0.264308 0.750000 Se\n0.702065 0.835747 0.250000 Se\n0.835747 0.702066 0.750000 Se\n0.137314 0.571830 0.441324 Se\n0.571830 0.137314 0.558676 Se\n0.137314 0.571830 0.058676 Se\n0.571830 0.137314 0.941324 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sr",
"Ge",
"Se"
],
"chemical_system": "Ge-Se-Sr",
"density": 4.589273700884197,
"density_atomic": 0.03431859177554306,
"volume": 407.94214668146776,
"volume_molar": 17.54775020894547,
"formula_full": "Sr4 Ge2 Se8",
"formula_reduced": "Sr2GeSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.6581988623809525,
"spacegroup": 40
}
]
}