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=elements&page=3565",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=3563",
"results": [
{
"id": "jvasp-36761",
"created_at": "2022-09-04T14:38:01.212415Z",
"updated_at": "2022-09-04T14:38:01.212450Z",
"structure_string": "Tl1 Cu1 O2\n1.0\n-3.376693 0.000000 0.998995\n-1.836122 3.004779 -0.000000\n-3.392395 -0.009594 -5.260340\nTl Cu O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.499998 0.500001 0.500000 Cu\n0.397581 0.397584 0.807252 O\n0.602415 0.602417 0.192749 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Cu",
"O"
],
"chemical_system": "Cu-O-Tl",
"density": 7.834143316038878,
"density_atomic": 0.06291949810571681,
"volume": 63.573297950966385,
"volume_molar": 9.571183720953478,
"formula_full": "Tl1 Cu1 O2",
"formula_reduced": "TlCuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7675450124999998,
"spacegroup": 166
},
{
"id": "jvasp-17284",
"created_at": "2022-09-04T14:37:59.713721Z",
"updated_at": "2022-09-04T14:37:59.713736Z",
"structure_string": "Tl2 Cu2 S4\n1.0\n5.184450 -0.000000 -2.316734\n-1.035260 5.080036 -2.316734\n0.000259 0.000318 6.959900\nTl Cu S\n2 2 4\ndirect\n0.500000 0.500000 0.000001 Tl\n0.750000 0.250000 0.500001 Tl\n0.250000 0.750001 0.500001 Cu\n0.000000 0.000000 0.000000 Cu\n0.923967 0.875001 0.250001 S\n0.625000 0.076033 0.750000 S\n0.326033 0.375000 0.250001 S\n0.125000 0.673968 0.750001 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tl",
"Cu",
"S"
],
"chemical_system": "Cu-S-Tl",
"density": 6.015949516452042,
"density_atomic": 0.043641475851630196,
"volume": 183.3118574449211,
"volume_molar": 13.79912260637961,
"formula_full": "Tl2 Cu2 S4",
"formula_reduced": "TlCuS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6154057625,
"spacegroup": 122
},
{
"id": "jvasp-12852",
"created_at": "2022-09-04T14:38:28.202929Z",
"updated_at": "2022-09-04T14:38:28.202952Z",
"structure_string": "Tl1 Cu6 S4\n1.0\n3.886449 0.000000 -0.624779\n-0.100438 3.885151 -0.624779\n0.010544 0.010820 12.465852\nTl Cu S\n1 6 4\ndirect\n0.000000 0.000000 0.000000 Tl\n0.249999 0.750000 0.500000 Cu\n0.372020 0.872021 0.744043 Cu\n0.627978 0.127978 0.255957 Cu\n0.127978 0.627978 0.255957 Cu\n0.872021 0.372021 0.744043 Cu\n0.750000 0.250000 0.500000 Cu\n0.420445 0.420446 0.840893 S\n0.193979 0.193980 0.387959 S\n0.806020 0.806020 0.612041 S\n0.579554 0.579554 0.159107 S\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Tl",
"Cu",
"S"
],
"chemical_system": "Cu-S-Tl",
"density": 6.296426767835027,
"density_atomic": 0.058423641332349216,
"volume": 188.2799453978794,
"volume_molar": 10.307712122464947,
"formula_full": "Tl1 Cu6 S4",
"formula_reduced": "Tl(Cu3S2)2",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.4636941181818181,
"spacegroup": 139
},
{
"id": "jvasp-12871",
"created_at": "2022-09-04T14:37:27.104966Z",
"updated_at": "2022-09-04T14:37:27.104986Z",
"structure_string": "Tl1 Cu4 S3\n1.0\n3.893332 0.000000 0.000000\n0.000000 3.893332 0.000000\n-0.000000 0.000000 9.441299\nTl Cu S\n1 4 3\ndirect\n0.000000 0.000000 0.500000 Tl\n0.500000 0.000000 0.161487 Cu\n0.500000 0.000000 0.838513 Cu\n0.000000 0.500000 0.838513 Cu\n0.000000 0.500000 0.161487 Cu\n0.500000 0.500000 0.705725 S\n0.500000 0.500000 0.294275 S\n0.000000 0.000000 0.000000 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tl",
"Cu",
"S"
],
"chemical_system": "Cu-S-Tl",
"density": 6.436968845373789,
"density_atomic": 0.05590045678009737,
"volume": 143.1115318336414,
"volume_molar": 10.772972363517617,
"formula_full": "Tl1 Cu4 S3",
"formula_reduced": "TlCu4S3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.4554405500000001,
"spacegroup": 123
},
{
"id": "jvasp-16028",
"created_at": "2022-09-04T14:36:34.720281Z",
"updated_at": "2022-09-04T14:36:34.720308Z",
"structure_string": "Tl1 Cu4 S3\n1.0\n3.893163 0.000000 0.000000\n0.000000 3.893163 0.000000\n0.000000 0.000000 9.441279\nTl Cu S\n1 4 3\ndirect\n0.000000 0.000000 0.500000 Tl\n0.500000 0.000000 0.161484 Cu\n0.500000 0.000000 0.838516 Cu\n0.000000 0.500000 0.838516 Cu\n0.000000 0.500000 0.161484 Cu\n0.500000 0.500000 0.705703 S\n0.500000 0.500000 0.294297 S\n0.000000 0.000000 0.000000 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tl",
"Cu",
"S"
],
"chemical_system": "Cu-S-Tl",
"density": 6.437541344826632,
"density_atomic": 0.05590542852715549,
"volume": 143.09880472723827,
"volume_molar": 10.77201430818978,
"formula_full": "Tl1 Cu4 S3",
"formula_reduced": "TlCu4S3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.4554368000000001,
"spacegroup": 123
},
{
"id": "jvasp-12872",
"created_at": "2022-09-04T14:37:26.968901Z",
"updated_at": "2022-09-04T14:37:26.968919Z",
"structure_string": "Tl1 Cu2 S2\n1.0\n3.661207 0.000000 -0.994728\n-0.270262 3.651219 -0.994728\n0.009250 0.009961 7.269154\nTl Cu S\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.250000 0.750000 0.499999 Cu\n0.750001 0.250000 0.499999 Cu\n0.645793 0.645792 0.291583 S\n0.354208 0.354208 0.708416 S\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tl",
"Cu",
"S"
],
"chemical_system": "Cu-S-Tl",
"density": 6.755243896754536,
"density_atomic": 0.05141618379284253,
"volume": 97.24564584849708,
"volume_molar": 11.71253935193518,
"formula_full": "Tl1 Cu2 S2",
"formula_reduced": "Tl(CuS)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.4284146999999997,
"spacegroup": 139
},
{
"id": "jvasp-11147",
"created_at": "2022-09-04T14:37:13.661250Z",
"updated_at": "2022-09-04T14:37:13.661276Z",
"structure_string": "Tl2 Cu6 S4\n1.0\n3.864627 -0.000000 0.000000\n-1.932314 6.780471 -2.738471\n0.000000 0.012556 8.428578\nTl Cu S\n2 6 4\ndirect\n0.861005 0.722006 0.952860 Tl\n0.138997 0.277995 0.047140 Tl\n0.409233 0.818464 0.358544 Cu\n0.311752 0.623501 0.588057 Cu\n0.061846 0.123692 0.406077 Cu\n0.938156 0.876308 0.593924 Cu\n0.688250 0.376499 0.411944 Cu\n0.590769 0.181536 0.641456 Cu\n0.476428 0.952854 0.767960 S\n0.523574 0.047146 0.232040 S\n0.812854 0.625705 0.320508 S\n0.187148 0.374295 0.679492 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tl",
"Cu",
"S"
],
"chemical_system": "Cu-S-Tl",
"density": 6.9000452544310455,
"density_atomic": 0.05429980547185246,
"volume": 220.9952668471432,
"volume_molar": 11.090538368727149,
"formula_full": "Tl2 Cu6 S4",
"formula_reduced": "TlCu3S2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.3043123250000001,
"spacegroup": 12
},
{
"id": "jvasp-16096",
"created_at": "2022-09-04T14:35:59.962957Z",
"updated_at": "2022-09-04T14:35:59.962984Z",
"structure_string": "Tl1 Cu2 S2\n1.0\n3.661207 0.000000 -0.994728\n-0.270262 3.651219 -0.994728\n0.009250 0.009961 7.269154\nTl Cu S\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.250000 0.750000 0.499999 Cu\n0.750001 0.250000 0.499999 Cu\n0.645793 0.645792 0.291583 S\n0.354208 0.354208 0.708416 S\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tl",
"Cu",
"S"
],
"chemical_system": "Cu-S-Tl",
"density": 6.755243896754536,
"density_atomic": 0.05141618379284253,
"volume": 97.24564584849708,
"volume_molar": 11.71253935193518,
"formula_full": "Tl1 Cu2 S2",
"formula_reduced": "Tl(CuS)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.4284146999999997,
"spacegroup": 139
},
{
"id": "jvasp-12788",
"created_at": "2022-09-04T14:37:10.387969Z",
"updated_at": "2022-09-04T14:37:10.388000Z",
"structure_string": "Tl2 Cu2 S4\n1.0\n5.184450 -0.000000 -2.316734\n-1.035260 5.080036 -2.316734\n0.000259 0.000318 6.959900\nTl Cu S\n2 2 4\ndirect\n0.500000 0.500000 0.000001 Tl\n0.750000 0.250000 0.500001 Tl\n0.250000 0.750001 0.500001 Cu\n0.000000 0.000000 0.000000 Cu\n0.923967 0.875001 0.250001 S\n0.625000 0.076033 0.750000 S\n0.326033 0.375000 0.250001 S\n0.125000 0.673968 0.750001 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tl",
"Cu",
"S"
],
"chemical_system": "Cu-S-Tl",
"density": 6.015949516452042,
"density_atomic": 0.043641475851630196,
"volume": 183.3118574449211,
"volume_molar": 13.79912260637961,
"formula_full": "Tl2 Cu2 S4",
"formula_reduced": "TlCuS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6154057625,
"spacegroup": 122
},
{
"id": "jvasp-12789",
"created_at": "2022-09-04T14:37:10.685080Z",
"updated_at": "2022-09-04T14:37:10.685106Z",
"structure_string": "Tl2 Cu2 Se4\n1.0\n5.427563 -0.000000 -2.438121\n-1.095231 5.315910 -2.438121\n0.027672 0.033955 7.321879\nTl Cu Se\n2 2 4\ndirect\n0.500000 0.500000 0.000000 Tl\n0.749999 0.250000 0.500000 Tl\n0.000000 0.000000 0.000000 Cu\n0.250000 0.750000 0.500000 Cu\n0.326325 0.375000 0.250000 Se\n0.923674 0.875000 0.250000 Se\n0.125000 0.673674 0.750000 Se\n0.624999 0.076325 0.750000 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tl",
"Cu",
"Se"
],
"chemical_system": "Cu-Se-Tl",
"density": 6.666324793498426,
"density_atomic": 0.03770868828216827,
"volume": 212.1526991375897,
"volume_molar": 15.970167710256199,
"formula_full": "Tl2 Cu2 Se4",
"formula_reduced": "TlCuSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3765674458333333,
"spacegroup": 122
},
{
"id": "jvasp-17285",
"created_at": "2022-09-04T14:38:30.841618Z",
"updated_at": "2022-09-04T14:38:30.841642Z",
"structure_string": "Tl2 Cu2 Se4\n1.0\n5.427563 -0.000000 -2.438121\n-1.095231 5.315910 -2.438121\n0.027672 0.033955 7.321879\nTl Cu Se\n2 2 4\ndirect\n0.500000 0.500000 0.000000 Tl\n0.749999 0.250000 0.500000 Tl\n0.000000 0.000000 0.000000 Cu\n0.250000 0.750000 0.500000 Cu\n0.326325 0.375000 0.250000 Se\n0.923674 0.875000 0.250000 Se\n0.125000 0.673674 0.750000 Se\n0.624999 0.076325 0.750000 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tl",
"Cu",
"Se"
],
"chemical_system": "Cu-Se-Tl",
"density": 6.666324793498426,
"density_atomic": 0.03770868828216827,
"volume": 212.1526991375897,
"volume_molar": 15.970167710256199,
"formula_full": "Tl2 Cu2 Se4",
"formula_reduced": "TlCuSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3765674458333333,
"spacegroup": 122
},
{
"id": "jvasp-15501",
"created_at": "2022-09-04T14:36:36.279683Z",
"updated_at": "2022-09-04T14:36:36.279722Z",
"structure_string": "Tl1 Cu2 Se2\n1.0\n3.747028 0.000000 -0.992174\n-0.262717 3.737806 -0.992174\n0.021500 0.023065 7.652768\nTl Cu Se\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.250000 0.750001 0.500001 Cu\n0.750000 0.250001 0.500001 Cu\n0.641469 0.641470 0.282937 Se\n0.358531 0.358533 0.717064 Se\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tl",
"Cu",
"Se"
],
"chemical_system": "Cu-Se-Tl",
"density": 7.569937933721723,
"density_atomic": 0.0465750608936066,
"volume": 107.35359018470665,
"volume_molar": 12.929968623673155,
"formula_full": "Tl1 Cu2 Se2",
"formula_reduced": "Tl(CuSe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.2247400466666668,
"spacegroup": 139
}
]
}