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=structure_string&page=951",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=949",
"results": [
{
"id": "jvasp-42505",
"created_at": "2022-09-04T14:38:29.684866Z",
"updated_at": "2022-09-04T14:38:29.684893Z",
"structure_string": "Cd4 Sn4 O12\n1.0\n5.543044 -0.000000 0.000000\n0.000000 5.652266 0.000000\n0.000000 0.000000 8.006471\nCd Sn O\n4 4 12\ndirect\n0.010403 0.955243 0.750000 Cd\n0.489596 0.455242 0.750000 Cd\n0.510403 0.544759 0.250000 Cd\n0.989596 0.044758 0.250000 Cd\n0.000000 0.500000 0.000000 Sn\n0.000000 0.500000 0.500000 Sn\n0.500000 0.000000 0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n0.807148 0.803587 0.060924 O\n0.692851 0.303587 0.439076 O\n0.692851 0.303587 0.060924 O\n0.613303 0.053411 0.750000 O\n0.386697 0.946590 0.250000 O\n0.192851 0.196414 0.560924 O\n0.307148 0.696414 0.560924 O\n0.192851 0.196414 0.939076 O\n0.807148 0.803587 0.439076 O\n0.113303 0.446590 0.250000 O\n0.307148 0.696414 0.939076 O\n0.886696 0.553411 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Cd",
"Sn",
"O"
],
"chemical_system": "Cd-O-Sn",
"density": 7.390719973948077,
"density_atomic": 0.07972929847935908,
"volume": 250.84881444401208,
"volume_molar": 7.553234350304809,
"formula_full": "Cd4 Sn4 O12",
"formula_reduced": "CdSnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.91363439,
"spacegroup": 62
},
{
"id": "jvasp-107770",
"created_at": "2022-09-04T14:35:59.618617Z",
"updated_at": "2022-09-04T14:35:59.618635Z",
"structure_string": "Cd4 Te3 Se1\n1.0\n4.546712 0.004312 14.529158\n2.223859 3.965736 14.529158\n0.007354 0.004312 15.223961\nCd Te Se\n4 3 1\ndirect\n0.003597 0.003597 0.003597 Cd\n0.746299 0.746300 0.746300 Cd\n0.498885 0.498886 0.498886 Cd\n0.251317 0.251317 0.251318 Cd\n0.809878 0.809878 0.809879 Te\n0.562218 0.562218 0.562219 Te\n0.314610 0.314610 0.314611 Te\n0.063193 0.063193 0.063193 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cd",
"Te",
"Se"
],
"chemical_system": "Cd-Se-Te",
"density": 5.527687121329948,
"density_atomic": 0.02921954253735287,
"volume": 273.78936510635583,
"volume_molar": 20.60997619076884,
"formula_full": "Cd4 Te3 Se1",
"formula_reduced": "Cd4Te3Se",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.0,
"spacegroup": 160
},
{
"id": "jvasp-100024",
"created_at": "2022-09-04T14:36:42.618618Z",
"updated_at": "2022-09-04T14:36:42.618633Z",
"structure_string": "Cd4 Te3 Se1\n1.0\n4.583433 0.000000 0.000000\n0.000000 6.462422 0.000000\n0.000000 0.000000 9.172595\nCd Te Se\n4 3 1\ndirect\n0.000000 0.024718 0.000000 Cd\n0.500000 0.491354 0.761559 Cd\n0.000000 0.991704 0.500000 Cd\n0.500000 0.491354 0.238441 Cd\n0.000000 0.750316 0.757667 Te\n0.500000 0.251210 0.500000 Te\n0.000000 0.750316 0.242333 Te\n0.500000 0.249025 0.000000 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cd",
"Te",
"Se"
],
"chemical_system": "Cd-Se-Te",
"density": 5.570338762495854,
"density_atomic": 0.02944500056635854,
"volume": 271.69298169890845,
"volume_molar": 20.452167241186633,
"formula_full": "Cd4 Te3 Se1",
"formula_reduced": "Cd4Te3Se",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.00065125,
"spacegroup": 25
},
{
"id": "jvasp-104969",
"created_at": "2022-09-04T14:36:55.159427Z",
"updated_at": "2022-09-04T14:36:55.159440Z",
"structure_string": "Cd4 Te5 Pb1\n1.0\n6.486898 0.022425 -11.066390\n-0.194509 4.620028 -11.965068\n-0.041098 -0.022425 12.827437\nCd Te Pb\n4 5 1\ndirect\n0.394701 0.393645 0.001056 Cd\n0.785136 0.793388 0.991749 Cd\n0.198361 0.206614 0.991749 Cd\n0.607412 0.606355 0.001056 Cd\n0.632748 0.889000 0.743748 Te\n0.038470 0.300773 0.737699 Te\n0.436927 0.699229 0.737699 Te\n0.854748 0.111000 0.743748 Te\n0.303755 0.500001 0.803756 Te\n0.997742 0.000000 0.997742 Pb\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cd",
"Te",
"Pb"
],
"chemical_system": "Cd-Pb-Te",
"density": 5.649181084839902,
"density_atomic": 0.02627356166719082,
"volume": 380.6107495691201,
"volume_molar": 22.920915086743506,
"formula_full": "Cd4 Te5 Pb1",
"formula_reduced": "Cd4Te5Pb",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.0,
"spacegroup": 44
},
{
"id": "jvasp-29533",
"created_at": "2022-09-04T14:37:56.995231Z",
"updated_at": "2022-09-04T14:37:56.995257Z",
"structure_string": "Cd5 I10\n1.0\n4.285041 -0.000000 0.000000\n-2.142520 3.710955 -0.000000\n0.000000 -0.000000 34.387187\nCd I\n5 10\ndirect\n0.666667 0.333333 0.050018 Cd\n-0.000000 0.000000 0.650030 Cd\n0.333332 0.666666 0.449982 Cd\n-0.000000 0.000000 0.849970 Cd\n-0.000000 0.000000 0.250000 Cd\n0.666667 0.333333 0.199573 I\n0.333332 0.666666 0.300427 I\n0.666667 0.333333 0.399534 I\n0.333332 0.666666 0.700453 I\n0.333332 0.666666 0.100466 I\n0.666667 0.333333 0.599573 I\n0.000000 -0.000000 -0.000400 I\n0.333332 0.666666 0.900427 I\n0.666667 0.333333 0.799547 I\n-0.000000 0.000000 0.500400 I\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Cd",
"I"
],
"chemical_system": "Cd-I",
"density": 5.56062706098678,
"density_atomic": 0.02743177683336946,
"volume": 546.8110976228564,
"volume_molar": 21.95315599343295,
"formula_full": "Cd5 I10",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.000000000002e-05,
"spacegroup": 164
},
{
"id": "jvasp-29627",
"created_at": "2022-09-04T14:37:58.319439Z",
"updated_at": "2022-09-04T14:37:58.319468Z",
"structure_string": "Cd5 I10\n1.0\n4.285241 0.000000 -0.000000\n-2.142621 3.711129 -0.000000\n-0.000000 -0.000000 34.380415\nCd I\n5 10\ndirect\n0.666667 0.333333 0.449991 Cd\n0.000000 0.000000 0.649995 Cd\n0.666667 0.333333 0.050001 Cd\n0.000000 0.000000 0.849949 Cd\n0.000000 0.000000 0.249974 Cd\n0.666667 0.333333 0.199559 I\n0.333333 0.666667 0.300453 I\n0.666667 0.333333 0.799529 I\n0.333333 0.666667 0.700454 I\n0.333333 0.666667 0.100473 I\n0.666667 0.333333 0.599568 I\n-0.000000 -0.000000 -0.000414 I\n0.333333 0.666667 0.900426 I\n0.000000 0.000000 0.399579 I\n0.333333 0.666667 0.500465 I\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Cd",
"I"
],
"chemical_system": "Cd-I",
"density": 5.561202021738816,
"density_atomic": 0.02743461323920369,
"volume": 546.7545639960108,
"volume_molar": 21.950886303709368,
"formula_full": "Cd5 I10",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.000000000002e-05,
"spacegroup": 156
},
{
"id": "jvasp-29631",
"created_at": "2022-09-04T14:36:46.581080Z",
"updated_at": "2022-09-04T14:36:46.581092Z",
"structure_string": "Cd5 I10\n1.0\n4.285450 -0.000000 -0.000000\n-2.142724 3.711308 -0.000000\n-0.000000 0.000000 34.372085\nCd I\n5 10\ndirect\n0.666667 0.333333 0.050043 Cd\n0.333334 0.666667 0.850011 Cd\n0.333334 0.666667 0.449975 Cd\n0.333334 0.666667 0.650037 Cd\n0.333334 0.666667 0.249978 Cd\n0.000000 -0.000000 0.199505 I\n0.666667 0.333333 0.900449 I\n0.333334 0.666667 0.100465 I\n0.666667 0.333333 0.300410 I\n-0.000000 0.000000 -0.000430 I\n0.666667 0.333333 0.500425 I\n0.666667 0.333333 0.700480 I\n0.000000 -0.000000 0.399514 I\n0.000000 -0.000000 0.599581 I\n0.000000 -0.000000 0.799556 I\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Cd",
"I"
],
"chemical_system": "Cd-I",
"density": 5.562010209097735,
"density_atomic": 0.027438600202369223,
"volume": 546.675117876633,
"volume_molar": 21.947696732284506,
"formula_full": "Cd5 I10",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.666666666666483e-05,
"spacegroup": 156
},
{
"id": "jvasp-29633",
"created_at": "2022-09-04T14:36:48.627942Z",
"updated_at": "2022-09-04T14:36:48.627973Z",
"structure_string": "Cd5 I10\n1.0\n4.285499 0.000000 -0.000000\n-2.142749 3.711351 -0.000000\n0.000000 0.000000 34.370203\nCd I\n5 10\ndirect\n0.666667 0.333333 0.050053 Cd\n0.666667 0.333333 0.449967 Cd\n0.333333 0.666667 0.850007 Cd\n0.333333 0.666667 0.650069 Cd\n0.666667 0.333333 0.249947 Cd\n-0.000000 -0.000000 0.599590 I\n-0.000000 -0.000000 0.199490 I\n0.666667 0.333333 0.900450 I\n0.333333 0.666667 0.100483 I\n0.000000 0.000000 -0.000425 I\n0.666667 0.333333 0.700502 I\n-0.000000 -0.000000 0.399508 I\n0.333333 0.666667 0.300396 I\n-0.000000 -0.000000 0.799549 I\n0.333333 0.666667 0.500413 I\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Cd",
"I"
],
"chemical_system": "Cd-I",
"density": 5.562186722934782,
"density_atomic": 0.027439470983332017,
"volume": 546.6577693539239,
"volume_molar": 21.947000230646292,
"formula_full": "Cd5 I10",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.3333333333365172e-05,
"spacegroup": 156
},
{
"id": "jvasp-35220",
"created_at": "2022-09-04T14:37:34.910411Z",
"updated_at": "2022-09-04T14:37:34.910423Z",
"structure_string": "Cd5 S4 Cl2\n1.0\n0.000000 4.257796 0.000000\n4.351744 -2.128898 -5.741079\n-8.683157 0.000000 -4.444474\nCd S Cl\n5 4 2\ndirect\n0.555390 0.110777 0.924623 Cd\n0.830103 0.660203 0.988606 Cd\n0.856849 0.713699 0.615444 Cd\n0.451429 0.902858 0.331426 Cd\n0.182112 0.364225 0.272907 Cd\n0.963129 0.926256 0.848925 S\n0.592947 0.185893 0.190341 S\n0.316324 0.632648 0.119454 S\n0.313437 0.626873 0.487459 S\n0.689477 0.378954 0.780689 Cl\n0.026884 0.053767 0.471798 Cl\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Cd",
"S",
"Cl"
],
"chemical_system": "Cd-Cl-S",
"density": 4.29061682081662,
"density_atomic": 0.03733812952640791,
"volume": 294.60500939716593,
"volume_molar": 16.12866213809869,
"formula_full": "Cd5 S4 Cl2",
"formula_reduced": "Cd5(S2Cl)2",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 0.0,
"spacegroup": 8
},
{
"id": "jvasp-100420",
"created_at": "2022-09-04T14:36:41.965227Z",
"updated_at": "2022-09-04T14:36:41.965256Z",
"structure_string": "Cd5 Te1 S4\n1.0\n4.240210 -0.004975 -14.698876\n-0.089502 4.239268 -14.698876\n0.004876 0.004975 15.298246\nCd Te S\n5 1 4\ndirect\n0.810176 0.810177 0.000001 Cd\n0.189825 0.189825 0.000000 Cd\n0.594488 0.594489 0.000001 Cd\n0.000000 0.000000 0.000000 Cd\n0.405513 0.405513 0.000001 Cd\n0.750001 0.250000 0.500001 Te\n0.141962 0.641961 0.500001 S\n0.547267 0.047266 0.500000 S\n0.952734 0.452734 0.500001 S\n0.358039 0.858039 0.500001 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cd",
"Te",
"S"
],
"chemical_system": "Cd-S-Te",
"density": 4.927978274657248,
"density_atomic": 0.03628369554594746,
"volume": 275.60588439335265,
"volume_molar": 16.59737430101057,
"formula_full": "Cd5 Te1 S4",
"formula_reduced": "Cd5TeS4",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.0,
"spacegroup": 119
},
{
"id": "jvasp-106834",
"created_at": "2022-09-04T14:38:47.646321Z",
"updated_at": "2022-09-04T14:38:47.646347Z",
"structure_string": "Cd5 Te4 S1\n1.0\n4.540808 0.003857 18.300277\n2.239752 3.949995 18.300277\n0.006615 0.003857 18.855212\nCd Te S\n5 4 1\ndirect\n0.994960 0.994961 0.994962 Cd\n0.604922 0.604923 0.604923 Cd\n0.202379 0.202379 0.202379 Cd\n0.799898 0.799899 0.799899 Cd\n0.397396 0.397397 0.397397 Cd\n0.553921 0.553922 0.553923 Te\n0.151589 0.151589 0.151589 Te\n0.749117 0.749119 0.749119 Te\n0.346654 0.346655 0.346655 Te\n0.949155 0.949157 0.949157 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cd",
"Te",
"S"
],
"chemical_system": "Cd-S-Te",
"density": 5.4361821952156015,
"density_atomic": 0.029639530644902327,
"volume": 337.38725892138547,
"volume_molar": 20.317935638551493,
"formula_full": "Cd5 Te4 S1",
"formula_reduced": "Cd5Te4S",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.0,
"spacegroup": 160
},
{
"id": "jvasp-10703",
"created_at": "2022-09-04T14:37:06.650491Z",
"updated_at": "2022-09-04T14:37:06.650506Z",
"structure_string": "Cd6 As4\n1.0\n6.454355 0.000000 -0.000000\n0.000000 6.454355 0.000000\n0.000000 -0.000000 6.454355\nCd As\n6 4\ndirect\n0.500000 0.000000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.500000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.500000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Cd\n0.250000 0.750001 0.750001 As\n0.750001 0.750001 0.250000 As\n0.750001 0.250000 0.750001 As\n0.250000 0.250000 0.250000 As\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Cd",
"As"
],
"chemical_system": "As-Cd",
"density": 6.01613338341427,
"density_atomic": 0.03719130813451376,
"volume": 268.88002873768073,
"volume_molar": 16.192333806111588,
"formula_full": "Cd6 As4",
"formula_reduced": "Cd3As2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.0,
"spacegroup": 224
}
]
}