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=chemical_system&page=4548",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=4546",
"results": [
{
"id": "jvasp-85014",
"created_at": "2022-09-04T14:37:11.768082Z",
"updated_at": "2022-09-04T14:37:11.768111Z",
"structure_string": "Tl3 V1 Se4\n1.0\n-3.903118 -3.903118 3.903118\n-3.903118 3.903118 -3.903118\n3.903118 -3.903118 -3.903118\nTl V Se\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Tl\n0.500000 0.000000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n0.000000 0.000000 0.000000 V\n0.340055 0.000000 0.000000 Se\n0.000000 0.340055 0.000000 Se\n0.000000 0.000000 0.340055 Se\n0.659946 0.659946 0.659946 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tl",
"V",
"Se"
],
"chemical_system": "Se-Tl-V",
"density": 6.841474879004856,
"density_atomic": 0.03363527262549944,
"volume": 237.84555246729508,
"volume_molar": 17.904242451225205,
"formula_full": "Tl3 V1 Se4",
"formula_reduced": "Tl3VSe4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.0929769333333337,
"spacegroup": 217
},
{
"id": "jvasp-79649",
"created_at": "2022-09-04T14:37:09.306321Z",
"updated_at": "2022-09-04T14:37:09.306348Z",
"structure_string": "Y1 Tl1 Se2\n1.0\n-2.082757 -3.607441 0.000000\n2.082757 -3.607441 0.000000\n-0.000000 -2.404960 7.718576\nY Tl Se\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Tl\n0.235104 0.235104 0.294688 Se\n0.764896 0.764896 0.705313 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Tl",
"Se"
],
"chemical_system": "Se-Tl-Y",
"density": 6.459843184491239,
"density_atomic": 0.03448696459987712,
"volume": 115.98585281159397,
"volume_molar": 17.46207829500152,
"formula_full": "Y1 Tl1 Se2",
"formula_reduced": "YTlSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8931986958333336,
"spacegroup": 166
},
{
"id": "jvasp-79807",
"created_at": "2022-09-04T14:37:05.060851Z",
"updated_at": "2022-09-04T14:37:05.060878Z",
"structure_string": "Yb1 Tl1 Se2\n1.0\n-2.121085 -3.673828 0.000000\n2.121085 -3.673828 0.000000\n-0.000000 -2.449218 7.015943\nYb Tl Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Tl\n0.257351 0.257351 0.227947 Se\n0.742650 0.742650 0.772053 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Tl",
"Se"
],
"chemical_system": "Se-Tl-Yb",
"density": 8.129962249204121,
"density_atomic": 0.03658196679036638,
"volume": 109.34349218898132,
"volume_molar": 16.46204752880015,
"formula_full": "Yb1 Tl1 Se2",
"formula_reduced": "YbTlSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0530050083333333,
"spacegroup": 166
},
{
"id": "jvasp-122050",
"created_at": "2022-09-04T14:38:55.038653Z",
"updated_at": "2022-09-04T14:38:55.038680Z",
"structure_string": "Tm8 Se12\n1.0\n12.497957 0.004759 4.611429\n10.761432 6.349337 2.345751\n0.003068 -0.011210 6.957180\nTm Se\n8 12\ndirect\n0.333772 0.333773 0.166227 Tm\n0.166227 0.166228 0.333773 Tm\n0.916227 0.916228 0.083773 Tm\n0.083773 0.083773 0.916227 Tm\n0.997788 0.997790 0.502211 Tm\n0.502211 0.502211 0.997789 Tm\n0.252211 0.252211 0.747789 Tm\n0.747789 0.747789 0.252211 Tm\n0.411553 0.924806 0.585835 Se\n0.585835 0.077807 0.411554 Se\n0.172193 0.664166 0.325195 Se\n0.325194 0.838447 0.172194 Se\n0.838446 0.325195 0.664166 Se\n0.495856 0.004144 0.004144 Se\n0.754144 0.245856 0.245856 Se\n0.245855 0.754145 0.754144 Se\n0.924805 0.411554 0.077807 Se\n0.004144 0.495856 0.495856 Se\n0.664165 0.172194 0.838446 Se\n0.077806 0.585835 0.924805 Se\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Tm",
"Se"
],
"chemical_system": "Se-Tm",
"density": 6.923354457174838,
"density_atomic": 0.03627101322600297,
"volume": 551.4045024157705,
"volume_molar": 16.60317764622765,
"formula_full": "Tm8 Se12",
"formula_reduced": "Tm2Se3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.0738317199999998,
"spacegroup": 70
},
{
"id": "jvasp-123719",
"created_at": "2022-09-04T14:38:53.082728Z",
"updated_at": "2022-09-04T14:38:53.082755Z",
"structure_string": "Tm1 Se2\n1.0\n2.128640 -3.579265 -0.579508\n2.035416 3.525441 -0.000000\n-0.705956 0.407584 5.861674\nTm Se\n1 2\ndirect\n0.000000 0.333359 0.166667 Tm\n0.770890 0.718766 0.426842 Se\n0.229110 -0.052125 0.906490 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Tm",
"Se"
],
"chemical_system": "Se-Tm",
"density": 6.402722236338935,
"density_atomic": 0.0353901770771806,
"volume": 84.76928480627424,
"volume_molar": 17.016418840930427,
"formula_full": "Tm1 Se2",
"formula_reduced": "TmSe2",
"formula_anonymous": "AB2",
"energy_above_hull": null,
"spacegroup": 12
},
{
"id": "jvasp-15071",
"created_at": "2022-09-04T14:36:52.114854Z",
"updated_at": "2022-09-04T14:36:52.114878Z",
"structure_string": "Tm1 Se1\n1.0\n3.466617 -0.000000 2.001453\n1.155539 3.268358 2.001453\n-0.000000 -0.000000 4.002905\nTm Se\n1 1\ndirect\n0.500000 0.500000 0.499998 Tm\n0.000000 0.000000 0.000000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tm",
"Se"
],
"chemical_system": "Se-Tm",
"density": 9.07621372528626,
"density_atomic": 0.04409803410931345,
"volume": 45.3534956919452,
"volume_molar": 13.65625675074738,
"formula_full": "Tm1 Se1",
"formula_reduced": "TmSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0498638083333333,
"spacegroup": 225
},
{
"id": "jvasp-101080",
"created_at": "2022-09-04T14:36:44.190761Z",
"updated_at": "2022-09-04T14:36:44.190780Z",
"structure_string": "Yb1 Tm2 Se4\n1.0\n4.065590 0.000000 0.000000\n-0.000000 6.597651 2.145510\n-0.000000 0.015703 7.096664\nYb Tm Se\n1 2 4\ndirect\n0.000000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.000000 Tm\n0.500000 0.758567 0.243701 Se\n0.000000 0.256245 0.235141 Se\n0.500000 0.241432 0.756298 Se\n0.000000 0.743755 0.764858 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Yb",
"Tm",
"Se"
],
"chemical_system": "Se-Tm-Yb",
"density": 7.217186443058595,
"density_atomic": 0.036799633516563256,
"volume": 190.21928565808543,
"volume_molar": 16.36467590713771,
"formula_full": "Yb1 Tm2 Se4",
"formula_reduced": "Yb(TmSe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.9310675238095238,
"spacegroup": 10
},
{
"id": "jvasp-112977",
"created_at": "2022-09-04T14:38:45.604126Z",
"updated_at": "2022-09-04T14:38:45.604148Z",
"structure_string": "Yb4 Tm8 Se16\n1.0\n3.993730 -0.000000 0.000000\n0.000000 13.329230 0.000000\n-0.000000 -0.000000 13.583517\nYb Tm Se\n4 8 16\ndirect\n0.250000 0.369234 0.585463 Yb\n0.250000 0.869234 0.914538 Yb\n0.750000 0.630766 0.414538 Yb\n0.750000 0.130766 0.085462 Yb\n0.750000 0.351601 0.300679 Tm\n0.750000 0.851601 0.199321 Tm\n0.250000 0.148399 0.800679 Tm\n0.250000 0.648399 0.699321 Tm\n0.750000 0.892968 0.580615 Tm\n0.250000 0.607032 0.080615 Tm\n0.250000 0.107032 0.419385 Tm\n0.750000 0.392968 0.919385 Tm\n0.250000 0.469973 0.385499 Se\n0.250000 0.535255 0.879238 Se\n0.250000 0.035255 0.620762 Se\n0.750000 0.030027 0.885499 Se\n0.750000 0.530027 0.614501 Se\n0.250000 0.969973 0.114501 Se\n0.750000 0.242924 0.479057 Se\n0.250000 0.714348 0.262132 Se\n0.250000 0.757076 0.520944 Se\n0.250000 0.257076 0.979057 Se\n0.750000 0.285653 0.737869 Se\n0.750000 0.785653 0.762132 Se\n0.750000 0.964745 0.379238 Se\n0.250000 0.214347 0.237869 Se\n0.750000 0.742924 0.020944 Se\n0.750000 0.464745 0.120762 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Yb",
"Tm",
"Se"
],
"chemical_system": "Se-Tm-Yb",
"density": 7.59427761781811,
"density_atomic": 0.03872237960923584,
"volume": 723.0960566618071,
"volume_molar": 15.552093700779778,
"formula_full": "Yb4 Tm8 Se16",
"formula_reduced": "Yb(TmSe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.9284746666666668,
"spacegroup": 62
},
{
"id": "jvasp-100316",
"created_at": "2022-09-04T14:36:34.730151Z",
"updated_at": "2022-09-04T14:36:34.730179Z",
"structure_string": "Yb1 Tm1 Se2\n1.0\n3.867616 0.001209 5.932982\n1.763947 3.441940 5.932982\n0.001977 0.001209 7.082283\nYb Tm Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500001 0.500000 0.499998 Tm\n0.248321 0.248320 0.248319 Se\n0.751682 0.751680 0.751677 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Tm",
"Se"
],
"chemical_system": "Se-Tm-Yb",
"density": 8.811145957254402,
"density_atomic": 0.04245855236437168,
"volume": 94.20952381213371,
"volume_molar": 14.183575333231026,
"formula_full": "Yb1 Tm1 Se2",
"formula_reduced": "YbTmSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3408179208333334,
"spacegroup": 166
},
{
"id": "jvasp-78735",
"created_at": "2022-09-04T14:37:12.015420Z",
"updated_at": "2022-09-04T14:37:12.015432Z",
"structure_string": "U1 Se1\n1.0\n-2.878266 -2.878266 0.000000\n-2.878266 -0.000000 -2.878266\n0.000000 -2.878266 -2.878266\nU Se\n1 1\ndirect\n0.000000 0.000000 0.000000 U\n0.500001 0.500001 0.500001 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"U",
"Se"
],
"chemical_system": "Se-U",
"density": 11.037491640722887,
"density_atomic": 0.041937951911773165,
"volume": 47.68950100871625,
"volume_molar": 14.359644392432562,
"formula_full": "U1 Se1",
"formula_reduced": "USe",
"formula_anonymous": "AB",
"energy_above_hull": 1.9469746833333332,
"spacegroup": 225
},
{
"id": "jvasp-20595",
"created_at": "2022-09-04T14:38:14.608302Z",
"updated_at": "2022-09-04T14:38:14.608322Z",
"structure_string": "U1 Se1\n1.0\n3.525160 0.000000 2.035253\n1.175053 3.323553 2.035253\n0.000000 0.000000 4.070504\nU Se\n1 1\ndirect\n0.500000 0.500000 0.499999 U\n0.000000 0.000000 0.000000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"U",
"Se"
],
"chemical_system": "Se-U",
"density": 11.037317554316122,
"density_atomic": 0.041937290454660166,
"volume": 47.690253192734716,
"volume_molar": 14.359870880334393,
"formula_full": "U1 Se1",
"formula_reduced": "USe",
"formula_anonymous": "AB",
"energy_above_hull": 1.9469446833333333,
"spacegroup": 225
},
{
"id": "jvasp-59647",
"created_at": "2022-09-04T14:37:53.323350Z",
"updated_at": "2022-09-04T14:37:53.323364Z",
"structure_string": "U6 Se8\n1.0\n7.070125 0.000000 -2.499667\n-3.535063 6.122909 -2.499667\n0.000000 0.000000 7.499000\nU Se\n6 8\ndirect\n0.750001 0.875000 0.125000 U\n0.625001 0.375000 0.250000 U\n0.875001 0.125000 0.750000 U\n0.125000 0.750000 0.875000 U\n0.375000 0.250000 0.625000 U\n0.250001 0.625000 0.375000 U\n0.652734 0.652733 0.652733 Se\n0.347267 0.500000 -0.000000 Se\n0.500000 -0.000000 0.347267 Se\n0.000000 0.347267 0.500000 Se\n0.500000 -0.000000 0.847267 Se\n0.000000 0.847267 0.500000 Se\n0.152734 0.152733 0.152733 Se\n0.847267 0.500000 -0.000000 Se\n",
"nsites": 14,
"nelements": 2,
"elements": [
"U",
"Se"
],
"chemical_system": "Se-U",
"density": 10.536519423457259,
"density_atomic": 0.043126060217238,
"volume": 324.62970022019385,
"volume_molar": 13.964041068590074,
"formula_full": "U6 Se8",
"formula_reduced": "U3Se4",
"formula_anonymous": "A3B4",
"energy_above_hull": 3.665623066666667,
"spacegroup": 220
}
]
}