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=685",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=683",
"results": [
{
"id": "jvasp-106204",
"created_at": "2022-09-04T14:38:39.220437Z",
"updated_at": "2022-09-04T14:38:39.220461Z",
"structure_string": "K3 Al1 Cl6\n1.0\n6.378122 -0.000000 3.682411\n2.126041 6.013351 3.682411\n-0.000000 -0.000000 7.364820\nK Al Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Al\n0.776556 0.223443 0.223443 Cl\n0.223443 0.223443 0.776556 Cl\n0.223443 0.776556 0.776556 Cl\n0.223443 0.776556 0.223443 Cl\n0.776556 0.223443 0.776556 Cl\n0.776556 0.776556 0.223443 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Al",
"Cl"
],
"chemical_system": "Al-Cl-K",
"density": 2.0986452591049014,
"density_atomic": 0.035402056148456554,
"volume": 282.46946895020886,
"volume_molar": 17.010709024206072,
"formula_full": "K3 Al1 Cl6",
"formula_reduced": "K3AlCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-39441",
"created_at": "2022-09-04T14:37:53.140343Z",
"updated_at": "2022-09-04T14:37:53.140364Z",
"structure_string": "Ho6 Mg2\n1.0\n3.455235 -5.984643 0.000000\n3.455235 5.984643 0.000000\n-0.000000 -0.000000 5.464023\nHo Mg\n6 2\ndirect\n0.661089 0.830544 0.750000 Ho\n0.169455 0.338910 0.750000 Ho\n0.169455 0.830544 0.750000 Ho\n0.830544 0.169455 0.250000 Ho\n0.830544 0.661089 0.250000 Ho\n0.338910 0.169455 0.250000 Ho\n0.666666 0.333332 0.750000 Mg\n0.333332 0.666666 0.250000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ho",
"Mg"
],
"chemical_system": "Ho-Mg",
"density": 7.629013591464879,
"density_atomic": 0.035402312685023835,
"volume": 225.9739376683214,
"volume_molar": 17.010585759126222,
"formula_full": "Ho6 Mg2",
"formula_reduced": "Ho3Mg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.9995993966666664,
"spacegroup": 194
},
{
"id": "jvasp-79592",
"created_at": "2022-09-04T14:36:51.730746Z",
"updated_at": "2022-09-04T14:36:51.730772Z",
"structure_string": "Nd3 Ga1\n1.0\n4.834386 0.000000 0.000000\n-0.000000 4.834386 0.000000\n0.000000 -0.000000 4.834386\nNd Ga\n3 1\ndirect\n0.000000 0.500000 0.500000 Nd\n0.500000 0.500000 0.000000 Nd\n0.500000 0.000000 0.500000 Nd\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nd",
"Ga"
],
"chemical_system": "Ga-Nd",
"density": 7.384432295401324,
"density_atomic": 0.035402670305614774,
"volume": 112.98582749464552,
"volume_molar": 17.01041392644584,
"formula_full": "Nd3 Ga1",
"formula_reduced": "Nd3Ga",
"formula_anonymous": "AB3",
"energy_above_hull": 1.0681160000000005,
"spacegroup": 221
},
{
"id": "jvasp-105226",
"created_at": "2022-09-04T14:36:54.663333Z",
"updated_at": "2022-09-04T14:36:54.663357Z",
"structure_string": "Nd1 Sm1 In2\n1.0\n4.699340 -0.000000 2.713165\n1.566447 4.430580 2.713165\n-0.000000 -0.000000 5.426330\nNd Sm In\n1 1 2\ndirect\n0.500000 0.500000 0.499999 Nd\n0.000000 0.000000 0.000000 Sm\n0.250000 0.250000 0.249999 In\n0.750001 0.750000 0.749998 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nd",
"Sm",
"In"
],
"chemical_system": "In-Nd-Sm",
"density": 7.705023072541474,
"density_atomic": 0.03540432667447042,
"volume": 112.98054152472687,
"volume_molar": 17.009618105073255,
"formula_full": "Nd1 Sm1 In2",
"formula_reduced": "NdSmIn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4153425787499998,
"spacegroup": 225
},
{
"id": "jvasp-39321",
"created_at": "2022-09-04T14:37:51.785799Z",
"updated_at": "2022-09-04T14:37:51.785823Z",
"structure_string": "Lu2 Te4\n1.0\n4.416620 0.000000 0.000000\n0.000000 4.416620 0.000000\n0.000000 0.000000 8.687700\nLu Te\n2 4\ndirect\n0.000000 0.500000 0.271272 Lu\n0.500000 0.000000 0.728728 Lu\n0.500000 0.500000 0.000000 Te\n0.000000 0.000000 0.000000 Te\n0.000000 0.500000 0.627669 Te\n0.500000 0.000000 0.372331 Te\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Lu",
"Te"
],
"chemical_system": "Lu-Te",
"density": 8.430072287121199,
"density_atomic": 0.035405144012136916,
"volume": 169.46690000591988,
"volume_molar": 17.00922543327491,
"formula_full": "Lu2 Te4",
"formula_reduced": "LuTe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.5847337611111111,
"spacegroup": 129
},
{
"id": "jvasp-117141",
"created_at": "2022-09-04T14:38:48.268204Z",
"updated_at": "2022-09-04T14:38:48.268233Z",
"structure_string": "Yb12 Pd4\n1.0\n6.376897 -0.000000 0.000000\n0.000000 7.550541 0.000000\n-0.000000 -0.000000 9.385513\nYb Pd\n12 4\ndirect\n0.340549 0.673821 0.063849 Yb\n0.159452 0.173821 0.436151 Yb\n0.659452 0.326179 0.563849 Yb\n0.840549 0.826179 0.936151 Yb\n0.659452 0.326179 0.936151 Yb\n0.840549 0.826179 0.563849 Yb\n0.340549 0.673821 0.436151 Yb\n0.159452 0.173821 0.063849 Yb\n0.865038 0.537070 0.250000 Yb\n0.634963 0.037070 0.250000 Yb\n0.134962 0.462930 0.750000 Yb\n0.365038 0.962929 0.750000 Yb\n0.050247 0.879916 0.250000 Pd\n0.449754 0.379916 0.250000 Pd\n0.949754 0.120083 0.750000 Pd\n0.550247 0.620083 0.750000 Pd\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Yb",
"Pd"
],
"chemical_system": "Pd-Yb",
"density": 9.19430034565374,
"density_atomic": 0.03540580675280747,
"volume": 451.9032742766495,
"volume_molar": 17.00890704749294,
"formula_full": "Yb12 Pd4",
"formula_reduced": "Yb3Pd",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-14163",
"created_at": "2022-09-04T14:37:07.232381Z",
"updated_at": "2022-09-04T14:37:07.232404Z",
"structure_string": "As8 S12\n1.0\n0.000000 4.565508 0.000281\n10.888128 0.000000 0.000000\n0.000000 -4.506033 -11.363489\nAs S\n8 12\ndirect\n0.134801 0.819065 0.980557 As\n0.865201 0.319065 0.519443 As\n0.865200 0.180935 0.019443 As\n0.134801 0.680935 0.480557 As\n0.423048 0.688684 0.769453 As\n0.576954 0.188683 0.730548 As\n0.576954 0.311317 0.230548 As\n0.423047 0.811317 0.269453 As\n0.093964 0.363439 0.094202 S\n0.906037 0.863440 0.405798 S\n0.342408 0.626054 0.342165 S\n0.657593 0.126054 0.157835 S\n0.657593 0.373946 0.657835 S\n0.441810 0.275124 0.877522 S\n0.558191 0.724876 0.122478 S\n0.441810 0.224876 0.377522 S\n0.093965 0.136561 0.594202 S\n0.558191 0.775124 0.622478 S\n0.342408 0.873946 0.842165 S\n0.906037 0.636561 0.905798 S\n",
"nsites": 20,
"nelements": 2,
"elements": [
"As",
"S"
],
"chemical_system": "As-S",
"density": 2.893131725624575,
"density_atomic": 0.03540679149610478,
"volume": 564.8633822751284,
"volume_molar": 17.00843399115256,
"formula_full": "As8 S12",
"formula_reduced": "As2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.1706307,
"spacegroup": 14
},
{
"id": "jvasp-123426",
"created_at": "2022-09-04T14:38:54.481098Z",
"updated_at": "2022-09-04T14:38:54.481126Z",
"structure_string": "Pr1 Zr1\n1.0\n1.700986 -2.946191 0.000000\n1.700986 2.946191 -0.000000\n-0.000000 0.000000 5.635184\nPr Zr\n1 1\ndirect\n0.666668 0.333335 0.250000 Pr\n0.333335 0.666668 0.749999 Zr\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pr",
"Zr"
],
"chemical_system": "Pr-Zr",
"density": 6.824702450124793,
"density_atomic": 0.03541035340417511,
"volume": 56.48065629766313,
"volume_molar": 17.006723122085393,
"formula_full": "Pr1 Zr1",
"formula_reduced": "PrZr",
"formula_anonymous": "AB",
"energy_above_hull": 2.106012175,
"spacegroup": 187
},
{
"id": "jvasp-25378",
"created_at": "2022-09-04T14:37:57.283878Z",
"updated_at": "2022-09-04T14:37:57.283903Z",
"structure_string": "Lu3\n1.0\n-1.725586 2.988805 0.000000\n3.451175 -0.000000 -0.000000\n1.725586 -0.996269 -8.213372\nLu\n3\ndirect\n0.000000 0.000000 0.000000 Lu\n0.778202 0.221797 0.334607 Lu\n0.221798 0.778202 0.665393 Lu\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Lu"
],
"chemical_system": "Lu",
"density": 10.28822471236334,
"density_atomic": 0.03541075597671194,
"volume": 84.72002128316505,
"volume_molar": 17.006529778580525,
"formula_full": "Lu3",
"formula_reduced": "Lu",
"formula_anonymous": "A",
"energy_above_hull": 0.00882,
"spacegroup": 166
},
{
"id": "jvasp-20154",
"created_at": "2022-09-04T14:37:41.862943Z",
"updated_at": "2022-09-04T14:37:41.862956Z",
"structure_string": "Nd10 Ge6\n1.0\n4.413784 -7.644899 0.000000\n4.413784 7.644899 -0.000000\n0.000000 0.000000 6.694929\nNd Ge\n10 6\ndirect\n0.246273 -0.000000 0.250000 Nd\n0.753727 -0.000000 0.750000 Nd\n0.246273 0.246273 0.750000 Nd\n-0.000000 0.246273 0.250000 Nd\n0.753727 0.753727 0.250000 Nd\n-0.000000 0.753727 0.750000 Nd\n0.333333 0.666667 0.500000 Nd\n0.666667 0.333333 0.000000 Nd\n0.666667 0.333333 0.500000 Nd\n0.333333 0.666667 0.000000 Nd\n-0.000000 0.608261 0.250000 Ge\n0.608261 0.608261 0.750000 Ge\n0.391738 -0.000000 0.750000 Ge\n0.608261 -0.000000 0.250000 Ge\n0.391738 0.391738 0.250000 Ge\n-0.000000 0.391738 0.750000 Ge\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Nd",
"Ge"
],
"chemical_system": "Ge-Nd",
"density": 6.903129294353217,
"density_atomic": 0.035412874732521214,
"volume": 451.81307987138615,
"volume_molar": 17.005512276216315,
"formula_full": "Nd10 Ge6",
"formula_reduced": "Nd5Ge3",
"formula_anonymous": "A3B5",
"energy_above_hull": 1.45188941875,
"spacegroup": 193
},
{
"id": "jvasp-28794",
"created_at": "2022-09-04T14:37:43.432220Z",
"updated_at": "2022-09-04T14:37:43.432228Z",
"structure_string": "Te2 Mo3 W1 S6\n1.0\n3.283302 0.000000 0.000000\n-1.641651 2.843503 -0.000167\n0.000000 -0.002702 36.295320\nTe Mo W S\n2 3 1 6\ndirect\n0.333434 0.666868 0.710928 Te\n0.333305 0.666611 0.604171 Te\n0.333314 0.666627 0.093935 Mo\n0.333301 0.666602 0.469559 Mo\n0.666698 0.333396 0.281761 Mo\n0.666695 0.333391 0.657678 W\n0.333364 0.666730 0.324254 S\n0.666604 0.333209 0.051685 S\n0.666611 0.333221 0.427146 S\n0.666684 0.333369 0.136382 S\n0.666692 0.333382 0.511878 S\n0.333296 0.666592 0.239369 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-Te-W",
"density": 4.504717764269196,
"density_atomic": 0.03541327534822057,
"volume": 338.85597652302357,
"volume_molar": 17.00531989990753,
"formula_full": "Te2 Mo3 W1 S6",
"formula_reduced": "Te2Mo3WS6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 3.920685269444444,
"spacegroup": 156
},
{
"id": "jvasp-80817",
"created_at": "2022-09-04T14:37:15.692993Z",
"updated_at": "2022-09-04T14:37:15.693014Z",
"structure_string": "Na1 Mg2 Tl1\n1.0\n-11.057629 0.001389 -6.385259\n-3.955147 -0.213656 -5.918251\n-4.903241 -2.895150 -4.276203\nNa Mg Tl\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.729823 0.000012 -0.000012 Mg\n0.270177 -0.000012 0.000012 Mg\n0.500000 0.000000 -0.000000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Tl"
],
"chemical_system": "Mg-Na-Tl",
"density": 4.057328499912448,
"density_atomic": 0.03541348157076516,
"volume": 112.95133442350142,
"volume_molar": 17.005220873203974,
"formula_full": "Na1 Mg2 Tl1",
"formula_reduced": "NaMg2Tl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 71
}
]
}