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=457",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=455",
"results": [
{
"id": "jvasp-114789",
"created_at": "2022-09-04T14:38:43.709049Z",
"updated_at": "2022-09-04T14:38:43.709079Z",
"structure_string": "Na1 Sn1 Cl3\n1.0\n3.717042 2.146035 3.295729\n-3.717042 2.146035 3.295729\n0.000000 -4.292071 3.295729\nNa Sn Cl\n1 1 3\ndirect\n0.876081 0.876081 0.876078 Na\n0.517734 0.517734 0.517733 Sn\n0.837876 0.837876 0.370195 Cl\n0.837875 0.370197 0.837874 Cl\n0.370197 0.837875 0.837874 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Na",
"Sn",
"Cl"
],
"chemical_system": "Cl-Na-Sn",
"density": 2.611359124205145,
"density_atomic": 0.03169807758047316,
"volume": 157.73827252792546,
"volume_molar": 18.998441608048164,
"formula_full": "Na1 Sn1 Cl3",
"formula_reduced": "NaSnCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 160
},
{
"id": "jvasp-12023",
"created_at": "2022-09-04T14:37:07.324266Z",
"updated_at": "2022-09-04T14:37:07.324294Z",
"structure_string": "Ag2 I2\n1.0\n4.440807 0.000000 0.000000\n0.000000 4.440807 0.000000\n-0.000000 0.000000 6.398559\nAg I\n2 2\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.000000 Ag\n0.000000 0.500000 0.705475 I\n0.500000 0.000000 0.294525 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ag",
"I"
],
"chemical_system": "Ag-I",
"density": 6.1790350051244225,
"density_atomic": 0.03169961697388877,
"volume": 126.1844899670186,
"volume_molar": 18.997519007754846,
"formula_full": "Ag2 I2",
"formula_reduced": "AgI",
"formula_anonymous": "AB",
"energy_above_hull": 0.0012149999999999,
"spacegroup": 129
},
{
"id": "jvasp-98974",
"created_at": "2022-09-04T14:36:22.539058Z",
"updated_at": "2022-09-04T14:36:22.539080Z",
"structure_string": "K12 Co2 Se8\n1.0\n10.121915 0.000000 -0.000000\n-5.060958 8.765836 0.000000\n0.000000 0.000000 7.821748\nK Co Se\n12 2 8\ndirect\n0.146416 0.853584 0.547690 K\n0.473356 0.526644 0.864979 K\n0.526643 0.053288 0.364979 K\n0.473356 0.946713 0.864979 K\n0.053288 0.526644 0.864979 K\n0.526643 0.473357 0.364979 K\n0.946712 0.473357 0.364979 K\n0.707167 0.853584 0.547690 K\n0.146416 0.292833 0.547690 K\n0.853583 0.707168 0.047690 K\n0.292833 0.146416 0.047690 K\n0.853583 0.146416 0.047690 K\n0.333333 0.666667 0.250372 Co\n0.666667 0.333333 0.750372 Co\n0.603348 0.801674 0.151339 Se\n0.333333 0.666667 0.567307 Se\n0.666667 0.333333 0.067307 Se\n0.198326 0.801674 0.151339 Se\n0.396652 0.198327 0.651339 Se\n0.801673 0.603348 0.651339 Se\n0.198326 0.396652 0.151339 Se\n0.801673 0.198327 0.651339 Se\n",
"nsites": 22,
"nelements": 3,
"elements": [
"K",
"Co",
"Se"
],
"chemical_system": "Co-K-Se",
"density": 2.916052397069623,
"density_atomic": 0.03170026070459543,
"volume": 694.0006016042249,
"volume_molar": 18.9971332290242,
"formula_full": "K12 Co2 Se8",
"formula_reduced": "K6CoSe4",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.269578396969697,
"spacegroup": 186
},
{
"id": "jvasp-37019",
"created_at": "2022-09-04T14:37:49.966762Z",
"updated_at": "2022-09-04T14:37:49.966779Z",
"structure_string": "Tl1 Cd1 Te2\n1.0\n2.180231 -3.776270 0.000000\n2.180231 3.776270 0.000000\n0.000000 0.000000 7.662170\nTl Cd Te\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 Cd\n0.666667 0.333333 0.220978 Te\n0.333333 0.666667 0.779022 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Cd",
"Te"
],
"chemical_system": "Cd-Te-Tl",
"density": 7.528240253291303,
"density_atomic": 0.031703898095547786,
"volume": 126.1674507010141,
"volume_molar": 18.994953686296693,
"formula_full": "Tl1 Cd1 Te2",
"formula_reduced": "TlCdTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1257969416666667,
"spacegroup": 164
},
{
"id": "jvasp-102871",
"created_at": "2022-09-04T14:36:34.813124Z",
"updated_at": "2022-09-04T14:36:34.813146Z",
"structure_string": "K2 Pr1 Ag1 Cl6\n1.0\n6.616996 -0.000000 3.820324\n2.205666 6.238563 3.820324\n0.000000 -0.000000 7.640648\nK Pr Ag Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.499999 Pr\n0.000000 0.000000 0.000000 Ag\n0.752217 0.247784 0.247783 Cl\n0.247784 0.247784 0.752216 Cl\n0.247785 0.752216 0.752215 Cl\n0.247785 0.752216 0.247783 Cl\n0.752217 0.247784 0.752215 Cl\n0.752217 0.752216 0.247783 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Pr",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-K-Pr",
"density": 2.8413072590788953,
"density_atomic": 0.0317047527198156,
"volume": 315.41012441803275,
"volume_molar": 18.994441663745064,
"formula_full": "K2 Pr1 Ag1 Cl6",
"formula_reduced": "K2PrAgCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-9114",
"created_at": "2022-09-04T14:38:11.443436Z",
"updated_at": "2022-09-04T14:38:11.443464Z",
"structure_string": "Rb4 P6\n1.0\n6.164678 -0.053865 -2.337786\n-1.437513 5.994974 -2.337786\n0.013975 0.017563 8.538491\nRb P\n4 6\ndirect\n0.250000 0.749999 0.499999 Rb\n0.750000 0.250000 0.499999 Rb\n0.277504 0.722496 -0.000000 Rb\n0.722497 0.277504 -0.000000 Rb\n0.849119 0.849118 0.698236 P\n0.150881 0.150881 0.301762 P\n0.136410 0.136410 0.850176 P\n0.286234 0.286234 0.149823 P\n0.863590 0.863590 0.149823 P\n0.713766 0.713766 0.850175 P\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Rb",
"P"
],
"chemical_system": "P-Rb",
"density": 2.7782870328114773,
"density_atomic": 0.031705133496223045,
"volume": 315.40633636478066,
"volume_molar": 18.99421354184616,
"formula_full": "Rb4 P6",
"formula_reduced": "Rb2P3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.4100399,
"spacegroup": 69
},
{
"id": "jvasp-13955",
"created_at": "2022-09-04T14:38:34.525197Z",
"updated_at": "2022-09-04T14:38:34.525223Z",
"structure_string": "Bi2 Te1 Se2\n1.0\n4.181373 -0.008043 9.303451\n1.988143 3.678482 9.303451\n-0.013519 -0.008043 10.199897\nBi Te Se\n2 1 2\ndirect\n0.594687 0.594689 0.594689 Bi\n0.405311 0.405312 0.405312 Bi\n0.000000 0.000000 0.000000 Te\n0.210223 0.210224 0.210224 Se\n0.789775 0.789777 0.789778 Se\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Bi",
"Te",
"Se"
],
"chemical_system": "Bi-Se-Te",
"density": 7.408566306728528,
"density_atomic": 0.03171048104250371,
"volume": 157.67657366339418,
"volume_molar": 18.991010423109373,
"formula_full": "Bi2 Te1 Se2",
"formula_reduced": "Bi2TeSe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.10677262,
"spacegroup": 166
},
{
"id": "jvasp-104773",
"created_at": "2022-09-04T14:37:11.857650Z",
"updated_at": "2022-09-04T14:37:11.857676Z",
"structure_string": "Rb3 Sb1 F6\n1.0\n6.854806 -0.283458 -2.005256\n-2.190147 6.610242 -1.603801\n0.075747 -0.314158 7.140822\nRb Sb F\n3 1 6\ndirect\n-0.000000 0.500000 -0.000000 Rb\n0.500000 -0.000000 -0.000000 Rb\n0.000000 -0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Sb\n0.056500 0.767712 0.767741 F\n0.943501 0.232287 0.232258 F\n0.767793 0.767756 0.056450 F\n0.232207 0.232243 0.943549 F\n0.767676 0.056483 0.767742 F\n0.232324 0.943516 0.232257 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Sb",
"F"
],
"chemical_system": "F-Rb-Sb",
"density": 2.5916481775192706,
"density_atomic": 0.031712179245468014,
"volume": 315.3362600089711,
"volume_molar": 18.98999344505983,
"formula_full": "Rb3 Sb1 F6",
"formula_reduced": "Rb3SbF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.007398,
"spacegroup": 166
},
{
"id": "jvasp-99856",
"created_at": "2022-09-04T14:36:22.165311Z",
"updated_at": "2022-09-04T14:36:22.165331Z",
"structure_string": "Y6 Er2\n1.0\n7.206690 0.000000 0.000000\n-3.603345 6.241176 -0.000000\n-0.000000 0.000000 5.608668\nY Er\n6 2\ndirect\n0.167534 0.335066 0.250000 Y\n0.664935 0.832467 0.250000 Y\n0.167534 0.832467 0.250000 Y\n0.832467 0.664934 0.750000 Y\n0.335066 0.167534 0.750000 Y\n0.832467 0.167534 0.750000 Y\n0.333334 0.666667 0.750000 Er\n0.666667 0.333333 0.250000 Er\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Y",
"Er"
],
"chemical_system": "Er-Y",
"density": 5.713251629693217,
"density_atomic": 0.03171231765698117,
"volume": 252.2679069544094,
"volume_molar": 18.989910561375456,
"formula_full": "Y6 Er2",
"formula_reduced": "Y3Er",
"formula_anonymous": "AB3",
"energy_above_hull": 2.5205540875,
"spacegroup": 194
},
{
"id": "jvasp-122820",
"created_at": "2022-09-04T14:38:54.262301Z",
"updated_at": "2022-09-04T14:38:54.262319Z",
"structure_string": "Sm3 Pb1\n1.0\n1.796015 -3.110789 -0.000000\n1.796015 3.110789 0.000000\n-0.000000 -0.000000 11.287759\nSm Pb\n3 1\ndirect\n0.000000 0.000000 0.500000 Sm\n0.333334 0.666668 0.240594 Sm\n0.666668 0.333334 0.759406 Sm\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sm",
"Pb"
],
"chemical_system": "Pb-Sm",
"density": 8.666455667645163,
"density_atomic": 0.031713323168800454,
"volume": 126.12995423750473,
"volume_molar": 18.9893084617653,
"formula_full": "Sm3 Pb1",
"formula_reduced": "Sm3Pb",
"formula_anonymous": "AB3",
"energy_above_hull": 1.16196186125,
"spacegroup": 164
},
{
"id": "jvasp-25823",
"created_at": "2022-09-04T14:37:48.497130Z",
"updated_at": "2022-09-04T14:37:48.497156Z",
"structure_string": "Ag4 Hg2 S2 I4\n1.0\n7.234449 -0.000000 -0.000000\n0.000000 6.658572 -3.592854\n0.000000 -0.046749 7.879894\nAg Hg S I\n4 2 2 4\ndirect\n0.771840 0.178622 0.672903 Ag\n0.771840 0.505719 0.327097 Ag\n0.271839 0.494280 0.672903 Ag\n0.271839 0.821378 0.327097 Ag\n0.406435 0.025773 0.000000 Hg\n0.906435 0.974227 0.000000 Hg\n0.679060 0.208569 0.000000 S\n0.179060 0.791431 0.000000 S\n0.172514 0.138943 0.690161 I\n0.172514 0.448783 0.309839 I\n0.672514 0.861056 0.309839 I\n0.672514 0.551216 0.690161 I\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ag",
"Hg",
"S",
"I"
],
"chemical_system": "Ag-Hg-I-S",
"density": 6.163475576656056,
"density_atomic": 0.0317151519803638,
"volume": 378.36804337023864,
"volume_molar": 18.98821346884468,
"formula_full": "Ag4 Hg2 S2 I4",
"formula_reduced": "Ag2HgSI2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 0.0,
"spacegroup": 36
},
{
"id": "jvasp-121126",
"created_at": "2022-09-04T14:38:53.884594Z",
"updated_at": "2022-09-04T14:38:53.884631Z",
"structure_string": "I2 F1\n1.0\n4.074892 0.260078 -0.809527\n-0.531258 -5.778452 1.120125\n1.539402 -1.364449 -4.088328\nI F\n2 1\ndirect\n0.070643 0.962576 0.522308 I\n0.206276 0.484267 0.456649 I\n0.082218 0.969155 0.016870 F\n",
"nsites": 3,
"nelements": 2,
"elements": [
"I",
"F"
],
"chemical_system": "F-I",
"density": 4.7891812015586215,
"density_atomic": 0.031715924130848866,
"volume": 94.58970792158047,
"volume_molar": 18.98775118503482,
"formula_full": "I2 F1",
"formula_reduced": "I2F",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0125099999999999,
"spacegroup": 1
}
]
}