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_full&page=520",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=518",
"results": [
{
"id": "jvasp-100061",
"created_at": "2022-09-04T14:36:32.104172Z",
"updated_at": "2022-09-04T14:36:32.104194Z",
"structure_string": "Tl3 V1 O4\n1.0\n5.449821 -0.022329 -2.584669\n-1.809261 4.829460 -3.128011\n-0.041086 0.022329 6.031532\nTl V O\n3 1 4\ndirect\n0.767793 0.233673 0.534119 Tl\n0.042374 -0.000000 0.042374 Tl\n0.300446 0.766327 0.534120 Tl\n0.507959 0.500000 0.007959 V\n0.832236 0.672335 0.159901 O\n0.487566 0.327665 0.159901 O\n0.356311 0.256069 0.612381 O\n0.356312 0.743931 0.100243 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tl",
"V",
"O"
],
"chemical_system": "O-Tl-V",
"density": 7.629152117351121,
"density_atomic": 0.050481551509244264,
"volume": 158.47373467780653,
"volume_molar": 11.92938921240805,
"formula_full": "Tl3 V1 O4",
"formula_reduced": "Tl3VO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.55064825,
"spacegroup": 44
},
{
"id": "jvasp-4164",
"created_at": "2022-09-04T14:36:31.796403Z",
"updated_at": "2022-09-04T14:36:31.796437Z",
"structure_string": "Tl3 V1 O4\n1.0\n5.183129 0.000000 2.921273\n1.924667 5.067921 2.643893\n0.015453 -0.029220 6.031355\nTl V O\n3 1 4\ndirect\n0.766377 0.767878 0.699367 Tl\n-0.000001 0.042251 0.957748 Tl\n0.233624 0.300631 0.232121 Tl\n0.500000 0.507938 0.492061 V\n0.327685 0.832263 0.512366 O\n0.672315 0.487632 0.167736 O\n0.743895 0.356203 0.643796 O\n0.256105 0.356203 0.643796 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tl",
"V",
"O"
],
"chemical_system": "O-Tl-V",
"density": 7.6309158609728955,
"density_atomic": 0.050493222074088455,
"volume": 158.4371064350308,
"volume_molar": 11.926631956985716,
"formula_full": "Tl3 V1 O4",
"formula_reduced": "Tl3VO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.55064825,
"spacegroup": 44
},
{
"id": "jvasp-99862",
"created_at": "2022-09-04T14:36:32.083195Z",
"updated_at": "2022-09-04T14:36:32.083215Z",
"structure_string": "Tl3 V1 F6\n1.0\n5.576378 -0.000000 3.219523\n1.858793 5.257459 3.219523\n-0.000000 -0.000000 6.439047\nTl V F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 V\n0.786168 0.213832 0.213831 F\n0.213832 0.786168 0.786168 F\n0.213832 0.786168 0.213832 F\n0.786168 0.213832 0.786168 F\n0.213832 0.213832 0.786168 F\n0.786168 0.786168 0.213831 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tl",
"V",
"F"
],
"chemical_system": "F-Tl-V",
"density": 6.844231177673042,
"density_atomic": 0.05297247994118318,
"volume": 188.77726719804846,
"volume_molar": 11.368432753547786,
"formula_full": "Tl3 V1 F6",
"formula_reduced": "Tl3VF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-37609",
"created_at": "2022-09-04T14:37:47.313225Z",
"updated_at": "2022-09-04T14:37:47.313258Z",
"structure_string": "Tl3 V1\n1.0\n-2.168251 2.168251 4.951033\n2.168251 -2.168251 4.951033\n2.168251 2.168251 -4.951033\nTl V\n3 1\ndirect\n0.749998 0.249999 0.499998 Tl\n0.249999 0.749998 0.499998 Tl\n0.500000 0.500000 0.000000 Tl\n0.000000 0.000000 0.000000 V\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tl",
"V"
],
"chemical_system": "Tl-V",
"density": 11.84409904669044,
"density_atomic": 0.042962057125992395,
"volume": 93.10541132305248,
"volume_molar": 14.017347312627995,
"formula_full": "Tl3 V1",
"formula_reduced": "Tl3V",
"formula_anonymous": "AB3",
"energy_above_hull": 0.7700255000000001,
"spacegroup": 139
},
{
"id": "jvasp-39633",
"created_at": "2022-09-04T14:37:46.722230Z",
"updated_at": "2022-09-04T14:37:46.722252Z",
"structure_string": "Tl3 Si1\n1.0\n0.000000 3.806798 3.806798\n3.806793 0.000004 3.806793\n3.806797 3.806797 0.000001\nTl Si\n3 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.499999 0.499999 0.499999 Tl\n0.250001 0.250001 0.250001 Tl\n0.750000 0.750000 0.750000 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tl",
"Si"
],
"chemical_system": "Si-Tl",
"density": 9.650683303830547,
"density_atomic": 0.036253627485902155,
"volume": 110.33378664122559,
"volume_molar": 16.611139843431705,
"formula_full": "Tl3 Si1",
"formula_reduced": "Tl3Si",
"formula_anonymous": "AB3",
"energy_above_hull": 0.3848340999999999,
"spacegroup": 225
},
{
"id": "jvasp-2802",
"created_at": "2022-09-04T14:36:48.850632Z",
"updated_at": "2022-09-04T14:36:48.850659Z",
"structure_string": "Tl3 Sb1 S3\n1.0\n5.900258 0.011398 -1.518571\n-1.961577 5.564655 -1.518571\n0.008051 0.011398 6.092539\nTl Sb S\n3 1 3\ndirect\n0.556915 0.556915 0.172234 Tl\n0.556915 0.172234 0.556915 Tl\n0.172233 0.556915 0.556915 Tl\n0.997609 0.997610 0.997609 Sb\n0.577960 0.968936 0.968935 S\n0.968935 0.968936 0.577961 S\n0.968935 0.577962 0.968935 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Tl",
"Sb",
"S"
],
"chemical_system": "S-Sb-Tl",
"density": 6.887465291507468,
"density_atomic": 0.034934338415745406,
"volume": 200.3759142850978,
"volume_molar": 17.23845658197934,
"formula_full": "Tl3 Sb1 S3",
"formula_reduced": "Tl3SbS3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.817544842857143,
"spacegroup": 160
},
{
"id": "jvasp-100244",
"created_at": "2022-09-04T14:36:36.238458Z",
"updated_at": "2022-09-04T14:36:36.238479Z",
"structure_string": "Tl3 Sb1\n1.0\n4.965967 0.000000 0.000000\n0.000000 4.965967 0.000000\n-0.000000 -0.000000 4.965967\nTl Sb\n3 1\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 Sb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tl",
"Sb"
],
"chemical_system": "Sb-Tl",
"density": 9.964871611148105,
"density_atomic": 0.032662430873988776,
"volume": 122.46485925777989,
"volume_molar": 18.43751551509849,
"formula_full": "Tl3 Sb1",
"formula_reduced": "Tl3Sb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0832916464285715,
"spacegroup": 221
},
{
"id": "jvasp-100247",
"created_at": "2022-09-04T14:36:37.147592Z",
"updated_at": "2022-09-04T14:36:37.147612Z",
"structure_string": "Tl3 S1\n1.0\n4.307460 -0.031514 -4.247518\n-0.775598 4.237176 -4.247518\n0.026465 0.031514 6.049374\nTl S\n3 1\ndirect\n0.749999 0.250000 0.499999 Tl\n0.249999 0.750001 0.499999 Tl\n0.500000 0.500001 0.000000 Tl\n0.000000 0.000000 0.000000 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tl",
"S"
],
"chemical_system": "S-Tl",
"density": 9.615707638761386,
"density_atomic": 0.035899446790605596,
"volume": 111.42232980165997,
"volume_molar": 16.77502384681848,
"formula_full": "Tl3 S1",
"formula_reduced": "Tl3S",
"formula_anonymous": "AB3",
"energy_above_hull": 0.23912,
"spacegroup": 139
},
{
"id": "jvasp-13733",
"created_at": "2022-09-04T14:36:33.755761Z",
"updated_at": "2022-09-04T14:36:33.755789Z",
"structure_string": "Tl3 Pt3\n1.0\n3.308522 -5.730529 -0.000000\n3.308522 5.730529 -0.000000\n0.000000 0.000000 3.946576\nTl Pt\n3 3\ndirect\n-0.000000 0.500000 -0.000000 Tl\n0.500000 0.500000 0.000000 Tl\n0.500000 -0.000000 0.000000 Tl\n0.000000 0.000000 0.000000 Pt\n0.333333 0.666667 0.500001 Pt\n0.666667 0.333333 0.500001 Pt\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Tl",
"Pt"
],
"chemical_system": "Pt-Tl",
"density": 13.297572863351574,
"density_atomic": 0.040093322070233695,
"volume": 149.65085680576598,
"volume_molar": 15.020308742315445,
"formula_full": "Tl3 Pt3",
"formula_reduced": "TlPt",
"formula_anonymous": "AB",
"energy_above_hull": 0.927017,
"spacegroup": 191
},
{
"id": "jvasp-16609",
"created_at": "2022-09-04T14:37:56.054838Z",
"updated_at": "2022-09-04T14:37:56.054863Z",
"structure_string": "Tl3 Pt3\n1.0\n3.308335 -5.730204 0.000000\n3.308335 5.730204 -0.000000\n0.000000 -0.000000 3.946721\nTl Pt\n3 3\ndirect\n-0.000000 0.499999 0.000000 Tl\n0.499999 0.499999 0.000000 Tl\n0.499999 -0.000000 0.000000 Tl\n0.000000 0.000000 0.000000 Pt\n0.333332 0.666666 0.500000 Pt\n0.666666 0.333332 0.500000 Pt\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Tl",
"Pt"
],
"chemical_system": "Pt-Tl",
"density": 13.298590135530645,
"density_atomic": 0.04009638923305564,
"volume": 149.63940930256067,
"volume_molar": 15.01915976772123,
"formula_full": "Tl3 Pt3",
"formula_reduced": "TlPt",
"formula_anonymous": "AB",
"energy_above_hull": 0.927017,
"spacegroup": 191
},
{
"id": "jvasp-9600",
"created_at": "2022-09-04T14:37:08.904760Z",
"updated_at": "2022-09-04T14:37:08.904790Z",
"structure_string": "Tl3 N3 O6\n1.0\n2.783153 -4.820563 -0.000000\n2.783153 4.820563 0.000000\n0.000000 -0.000000 7.390071\nTl N O\n3 3 6\ndirect\n0.292558 -0.000000 0.333333 Tl\n-0.000000 0.292558 0.666667 Tl\n0.707441 0.707441 0.000000 Tl\n-0.000000 0.305730 0.166667 N\n0.305730 -0.000000 0.833333 N\n0.694269 0.694269 0.500000 N\n0.488649 0.120369 0.954964 O\n0.631719 0.511350 0.621630 O\n0.879630 0.368280 0.288297 O\n0.511350 0.631719 0.378370 O\n0.120369 0.488649 0.045036 O\n0.368280 0.879630 0.711702 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tl",
"N",
"O"
],
"chemical_system": "N-O-Tl",
"density": 6.29030638937342,
"density_atomic": 0.0605156628625961,
"volume": 198.29577058829568,
"volume_molar": 9.951375354961538,
"formula_full": "Tl3 N3 O6",
"formula_reduced": "TlNO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.2124182125000003,
"spacegroup": 152
},
{
"id": "jvasp-59628",
"created_at": "2022-09-04T14:37:33.383762Z",
"updated_at": "2022-09-04T14:37:33.383791Z",
"structure_string": "Tl3 Ir1 N6 O12\n1.0\n6.857030 -0.000000 3.958908\n2.285677 6.464870 3.958908\n-0.000000 -0.000000 7.917817\nTl Ir N O\n3 1 6 12\ndirect\n0.500000 0.500000 0.500000 Tl\n0.750000 0.750000 0.750000 Tl\n0.250000 0.250000 0.250000 Tl\n0.000000 0.000000 0.000000 Ir\n0.821224 0.821224 0.178777 N\n0.178777 0.821224 0.178776 N\n0.178776 0.178776 0.821224 N\n0.821224 0.178776 0.821224 N\n0.178777 0.821224 0.821224 N\n0.821224 0.178776 0.178777 N\n0.418371 0.000000 0.581629 O\n0.000000 0.418371 0.581629 O\n0.000000 0.000000 0.581629 O\n0.000000 0.581629 0.000000 O\n0.000000 0.581629 0.418371 O\n0.418371 0.000000 0.000000 O\n0.000000 0.418371 0.000000 O\n0.581629 0.000000 0.418372 O\n0.581629 0.418371 0.000000 O\n0.418371 0.581629 0.000000 O\n0.581629 0.000000 0.000000 O\n0.000000 0.000000 0.418371 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Tl",
"Ir",
"N",
"O"
],
"chemical_system": "Ir-N-O-Tl",
"density": 5.116042185054358,
"density_atomic": 0.06267890130460835,
"volume": 350.9953037160607,
"volume_molar": 9.607923295804857,
"formula_full": "Tl3 Ir1 N6 O12",
"formula_reduced": "Tl3Ir(NO2)6",
"formula_anonymous": "AB3C6D12",
"energy_above_hull": 3.656840472727272,
"spacegroup": 225
}
]
}