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=-formula_reduced&page=688",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=686",
"results": [
{
"id": "jvasp-18718",
"created_at": "2022-09-04T14:36:51.375893Z",
"updated_at": "2022-09-04T14:36:51.375918Z",
"structure_string": "Th4 Hg2\n1.0\n5.280116 0.000000 2.863272\n2.640058 5.468773 1.431635\n0.033115 0.000000 6.239061\nTh Hg\n4 2\ndirect\n0.154212 0.500000 0.191576 Th\n0.345788 0.808423 0.500000 Th\n0.654212 0.191576 0.500000 Th\n0.845788 0.500000 0.808424 Th\n0.250000 -0.000000 -0.000000 Hg\n0.750001 -0.000000 -0.000000 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Th",
"Hg"
],
"chemical_system": "Hg-Th",
"density": 12.288018092860838,
"density_atomic": 0.033400306897938895,
"volume": 179.6390679383325,
"volume_molar": 18.030195885330688,
"formula_full": "Th4 Hg2",
"formula_reduced": "Th2Hg",
"formula_anonymous": "AB2",
"energy_above_hull": 1.6696942222222226,
"spacegroup": 140
},
{
"id": "jvasp-17405",
"created_at": "2022-09-04T14:38:31.826441Z",
"updated_at": "2022-09-04T14:38:31.826468Z",
"structure_string": "Th4 Ge2\n1.0\n5.874560 0.019517 -1.544419\n-3.488834 4.726401 -1.544419\n-0.009811 -0.019517 6.074174\nTh Ge\n4 2\ndirect\n0.836618 0.663383 0.500000 Th\n0.336618 0.836617 0.173233 Th\n0.163383 0.336617 0.500000 Th\n0.663383 0.163383 0.826766 Th\n0.750001 0.750000 -0.000000 Ge\n0.250000 0.250000 -0.000000 Ge\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Th",
"Ge"
],
"chemical_system": "Ge-Th",
"density": 10.565158149400025,
"density_atomic": 0.03556342012757253,
"volume": 168.7126822582557,
"volume_molar": 16.933525342606178,
"formula_full": "Th4 Ge2",
"formula_reduced": "Th2Ge",
"formula_anonymous": "AB2",
"energy_above_hull": 2.038982383333333,
"spacegroup": 140
},
{
"id": "jvasp-86109",
"created_at": "2022-09-04T14:35:47.534907Z",
"updated_at": "2022-09-04T14:35:47.534923Z",
"structure_string": "Th4 Ga2\n1.0\n5.194505 0.000000 2.921370\n2.597252 5.307701 1.460685\n-0.004543 -0.000000 6.086953\nTh Ga\n4 2\ndirect\n0.159088 0.500000 0.181823 Th\n0.840913 0.500000 0.818176 Th\n0.340912 0.818177 0.499999 Th\n0.659089 0.181823 0.499999 Th\n0.250000 -0.000000 -0.000000 Ga\n0.750001 -0.000000 -0.000000 Ga\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Th",
"Ga"
],
"chemical_system": "Ga-Th",
"density": 10.559032470131045,
"density_atomic": 0.03573702773049587,
"volume": 167.89308963375134,
"volume_molar": 16.85126364009579,
"formula_full": "Th4 Ga2",
"formula_reduced": "Th2Ga",
"formula_anonymous": "AB2",
"energy_above_hull": 1.7436111750000003,
"spacegroup": 140
},
{
"id": "jvasp-86710",
"created_at": "2022-09-04T14:36:11.828504Z",
"updated_at": "2022-09-04T14:36:11.828523Z",
"structure_string": "Th4 Ga2\n1.0\n5.194741 0.000000 2.921502\n2.597370 5.307723 1.460752\n-0.004435 -0.000000 6.087038\nTh Ga\n4 2\ndirect\n0.159094 0.500000 0.181811 Th\n0.840905 0.500000 0.818189 Th\n0.340905 0.818189 0.500000 Th\n0.659094 0.181811 0.500000 Th\n0.250000 -0.000000 -0.000000 Ga\n0.750000 -0.000000 -0.000000 Ga\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Th",
"Ga"
],
"chemical_system": "Ga-Th",
"density": 10.558466938262416,
"density_atomic": 0.0357351136888326,
"volume": 167.9020823116908,
"volume_molar": 16.852166226301804,
"formula_full": "Th4 Ga2",
"formula_reduced": "Th2Ga",
"formula_anonymous": "AB2",
"energy_above_hull": 1.7436178416666672,
"spacegroup": 140
},
{
"id": "jvasp-110152",
"created_at": "2022-09-04T14:37:54.887714Z",
"updated_at": "2022-09-04T14:37:54.887742Z",
"structure_string": "Th2 Fe1 Si3\n1.0\n4.009157 0.001059 -6.491460\n-0.340214 3.895929 -6.551212\n0.036856 -0.001059 7.629615\nTh Fe Si\n2 1 3\ndirect\n0.750879 0.250877 0.500002 Th\n0.006310 0.006310 0.000000 Th\n0.161732 0.661731 0.500002 Fe\n0.589721 0.589721 0.000001 Si\n0.323349 0.823347 0.500002 Si\n0.418016 0.418015 0.000001 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Th",
"Fe",
"Si"
],
"chemical_system": "Fe-Si-Th",
"density": 8.355325738002339,
"density_atomic": 0.049969028353572024,
"volume": 120.07437802362413,
"volume_molar": 12.051746768795255,
"formula_full": "Th2 Fe1 Si3",
"formula_reduced": "Th2FeSi3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.508257083333333,
"spacegroup": 44
},
{
"id": "jvasp-35532",
"created_at": "2022-09-04T14:37:51.591537Z",
"updated_at": "2022-09-04T14:37:51.591560Z",
"structure_string": "Th2 Fe2 Si2 C1\n1.0\n0.000000 -3.988669 -0.000000\n4.227502 -1.994335 -3.499383\n4.283099 -1.994335 3.564185\nTh Fe Si C\n2 2 2 1\ndirect\n0.442297 0.816433 0.298969 Th\n0.557701 0.183566 0.701032 Th\n0.808174 0.308195 0.075456 Fe\n0.191824 0.691804 0.924545 Fe\n0.821978 0.625364 0.730678 Si\n0.178020 0.374635 0.269323 Si\n0.000000 0.000000 0.000000 C\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Th",
"Fe",
"Si",
"C"
],
"chemical_system": "C-Fe-Si-Th",
"density": 8.919560195856425,
"density_atomic": 0.058390434375121064,
"volume": 119.88264987085886,
"volume_molar": 10.3135741743444,
"formula_full": "Th2 Fe2 Si2 C1",
"formula_reduced": "Th2Fe2Si2C",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 4.1320842,
"spacegroup": 12
},
{
"id": "jvasp-117336",
"created_at": "2022-09-04T14:38:26.318855Z",
"updated_at": "2022-09-04T14:38:26.318883Z",
"structure_string": "Th2 Fe17 H3\n1.0\n6.295368 0.029263 0.709639\n0.637396 6.263086 0.709639\n0.032241 0.029263 6.335157\nTh Fe H\n2 17 3\ndirect\n0.655576 0.655575 0.655576 Th\n0.344425 0.344424 0.344425 Th\n0.093750 0.093750 0.093750 Fe\n0.906251 0.906250 0.906251 Fe\n0.661847 0.149911 0.661847 Fe\n0.149912 0.661847 0.661847 Fe\n0.661847 0.661847 0.149912 Fe\n0.338154 0.850089 0.338154 Fe\n0.850089 0.338153 0.338154 Fe\n0.338153 0.338153 0.850089 Fe\n0.280042 0.719959 0.000000 Fe\n0.719959 -0.000001 0.280042 Fe\n0.000000 0.280041 0.719959 Fe\n0.280041 -0.000001 0.719959 Fe\n0.000000 0.719959 0.280041 Fe\n0.719959 0.280041 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 -0.000000 0.000000 Fe\n-0.000000 -0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 H\n0.000000 0.500000 0.500000 H\n0.500000 -0.000001 0.500000 H\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Th",
"Fe",
"H"
],
"chemical_system": "Fe-H-Th",
"density": 9.430750585396591,
"density_atomic": 0.0882092263703625,
"volume": 249.40701676295168,
"volume_molar": 6.827109824900794,
"formula_full": "Th2 Fe17 H3",
"formula_reduced": "Th2Fe17H3",
"formula_anonymous": "A2B3C17",
"energy_above_hull": 4.203910213636363,
"spacegroup": 166
},
{
"id": "jvasp-106278",
"created_at": "2022-09-04T14:36:44.791616Z",
"updated_at": "2022-09-04T14:36:44.791629Z",
"structure_string": "Th2 Cu1 Tc1\n1.0\n4.394056 0.000000 2.536910\n1.464686 4.142756 2.536910\n0.000000 -0.000000 5.073819\nTh Cu Tc\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Th\n0.750001 0.750001 0.749999 Th\n0.500001 0.500001 0.500000 Cu\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Th",
"Cu",
"Tc"
],
"chemical_system": "Cu-Tc-Th",
"density": 11.247895689923634,
"density_atomic": 0.04330819448770494,
"volume": 92.36127359536052,
"volume_molar": 13.905314759103307,
"formula_full": "Th2 Cu1 Tc1",
"formula_reduced": "Th2CuTc",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.9143407875,
"spacegroup": 225
},
{
"id": "jvasp-106715",
"created_at": "2022-09-04T14:37:01.447791Z",
"updated_at": "2022-09-04T14:37:01.447819Z",
"structure_string": "Th2 Cu1 Si3\n1.0\n4.157204 -0.000000 0.000000\n-2.078603 3.600244 0.000000\n0.000000 0.000000 8.170229\nTh Cu Si\n2 1 3\ndirect\n0.333333 0.666666 0.253545 Th\n0.333333 0.666666 0.746456 Th\n0.666666 0.333333 -0.000000 Cu\n0.666666 0.333333 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Th",
"Cu",
"Si"
],
"chemical_system": "Cu-Si-Th",
"density": 8.30896395295812,
"density_atomic": 0.04906634964147478,
"volume": 122.28339878229546,
"volume_molar": 12.273464001303266,
"formula_full": "Th2 Cu1 Si3",
"formula_reduced": "Th2CuSi3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.7946129083333333,
"spacegroup": 187
},
{
"id": "jvasp-86333",
"created_at": "2022-09-04T14:35:55.165053Z",
"updated_at": "2022-09-04T14:35:55.165081Z",
"structure_string": "Th4 Cu2\n1.0\n-0.000000 -0.000000 -5.781850\n-3.677580 3.677580 -2.890925\n3.677580 3.677580 -2.890925\nTh Cu\n4 2\ndirect\n0.338691 0.500000 0.822621 Th\n0.661310 0.500000 0.177379 Th\n0.838691 0.822621 0.500000 Th\n0.161310 0.177379 0.500000 Th\n0.750000 0.000000 0.000000 Cu\n0.250000 0.000000 0.000000 Cu\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Th",
"Cu"
],
"chemical_system": "Cu-Th",
"density": 11.204204159208206,
"density_atomic": 0.03836455600488088,
"volume": 156.39435522821267,
"volume_molar": 15.697147020895644,
"formula_full": "Th4 Cu2",
"formula_reduced": "Th2Cu",
"formula_anonymous": "AB2",
"energy_above_hull": 1.8325672166666669,
"spacegroup": 140
},
{
"id": "jvasp-55145",
"created_at": "2022-09-04T14:38:34.156329Z",
"updated_at": "2022-09-04T14:38:34.156355Z",
"structure_string": "Th2 Cu1\n1.0\n2.684787 -4.650189 0.000000\n2.684787 4.650189 -0.000000\n-0.000000 -0.000000 3.146944\nTh Cu\n2 1\ndirect\n0.333333 0.666668 0.499999 Th\n0.666668 0.333333 0.499999 Th\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Th",
"Cu"
],
"chemical_system": "Cu-Th",
"density": 11.149942838878346,
"density_atomic": 0.03817875865300178,
"volume": 78.57772504513127,
"volume_molar": 15.773537360745264,
"formula_full": "Th2 Cu1",
"formula_reduced": "Th2Cu",
"formula_anonymous": "AB2",
"energy_above_hull": 2.041957216666667,
"spacegroup": 191
},
{
"id": "jvasp-85834",
"created_at": "2022-09-04T14:36:11.061632Z",
"updated_at": "2022-09-04T14:36:11.061650Z",
"structure_string": "Th4 Cu2\n1.0\n0.000000 0.000000 -5.781850\n-3.677580 3.677580 -2.890925\n3.677580 3.677580 -2.890925\nTh Cu\n4 2\ndirect\n0.338691 0.500000 0.822621 Th\n0.661310 0.500000 0.177379 Th\n0.838691 0.822621 0.500000 Th\n0.161310 0.177379 0.500000 Th\n0.750000 0.000000 0.000000 Cu\n0.250000 0.000000 0.000000 Cu\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Th",
"Cu"
],
"chemical_system": "Cu-Th",
"density": 11.204204159208206,
"density_atomic": 0.03836455600488088,
"volume": 156.39435522821267,
"volume_molar": 15.697147020895644,
"formula_full": "Th4 Cu2",
"formula_reduced": "Th2Cu",
"formula_anonymous": "AB2",
"energy_above_hull": 1.8325638833333333,
"spacegroup": 140
}
]
}