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=4121",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=4119",
"results": [
{
"id": "jvasp-26042",
"created_at": "2022-09-04T14:38:34.888526Z",
"updated_at": "2022-09-04T14:38:34.888542Z",
"structure_string": "Tl1 Cr5 S8\n1.0\n3.420169 -0.000007 -0.660488\n-0.420894 8.350420 -2.179572\n-0.010551 -0.023612 9.131337\nTl Cr S\n1 5 8\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500001 0.500000 -0.000000 Cr\n0.203748 0.835227 0.407486 Cr\n0.796254 0.164772 0.592514 Cr\n0.841962 0.528653 0.683935 Cr\n0.158040 0.471347 0.316066 Cr\n0.329297 0.010843 0.658575 S\n0.670705 0.989157 0.341426 S\n0.737664 0.656256 0.475317 S\n0.262338 0.343744 0.524683 S\n0.415225 0.675106 0.830436 S\n0.584777 0.324894 0.169564 S\n0.076452 0.650295 0.152886 S\n0.923550 0.349705 0.847114 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Tl",
"Cr",
"S"
],
"chemical_system": "Cr-S-Tl",
"density": 4.59436289911732,
"density_atomic": 0.05373273768503977,
"volume": 260.5487939598855,
"volume_molar": 11.207582229104773,
"formula_full": "Tl1 Cr5 S8",
"formula_reduced": "TlCr5S8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 3.3411185428571435,
"spacegroup": 12
},
{
"id": "jvasp-9405",
"created_at": "2022-09-04T14:37:07.749805Z",
"updated_at": "2022-09-04T14:37:07.749834Z",
"structure_string": "Tl1 Cr5 Se8\n1.0\n3.599155 -0.000000 -0.698789\n-0.430523 8.695999 -2.217439\n-0.004371 -0.003546 9.595726\nTl Cr Se\n1 5 8\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500001 0.500000 -0.000000 Cr\n0.157377 0.474828 0.314753 Cr\n0.203953 0.835588 0.407904 Cr\n0.796049 0.164412 0.592097 Cr\n0.842626 0.525172 0.685248 Cr\n0.925332 0.343175 0.850661 Se\n0.330831 0.007177 0.661661 Se\n0.669171 0.992822 0.338339 Se\n0.415045 0.678808 0.830087 Se\n0.584957 0.321191 0.169913 Se\n0.737864 0.656556 0.475725 Se\n0.262138 0.343444 0.524275 Se\n0.074671 0.656825 0.149340 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Tl",
"Cr",
"Se"
],
"chemical_system": "Cr-Se-Tl",
"density": 6.06121962137283,
"density_atomic": 0.04662416305782061,
"volume": 300.27348657471885,
"volume_molar": 12.916351447492337,
"formula_full": "Tl1 Cr5 Se8",
"formula_reduced": "TlCr5Se8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 3.0026376095238105,
"spacegroup": 12
},
{
"id": "jvasp-8212",
"created_at": "2022-09-04T14:38:06.499439Z",
"updated_at": "2022-09-04T14:38:06.499466Z",
"structure_string": "Tl1 Cr1 S2\n1.0\n3.490560 -0.000667 6.857846\n1.644350 3.078981 6.857846\n-0.001113 -0.000667 7.695068\nTl Cr S\n1 1 2\ndirect\n0.166306 0.166305 0.166305 Tl\n0.999786 0.999782 0.999786 Cr\n0.609713 0.609710 0.609713 S\n0.390899 0.390898 0.390899 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Cr",
"S"
],
"chemical_system": "Cr-S-Tl",
"density": 6.432254733949924,
"density_atomic": 0.04834297331112175,
"volume": 82.74211795491203,
"volume_molar": 12.45711702762509,
"formula_full": "Tl1 Cr1 S2",
"formula_reduced": "TlCrS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.81913,
"spacegroup": 160
},
{
"id": "jvasp-37020",
"created_at": "2022-09-04T14:37:51.227605Z",
"updated_at": "2022-09-04T14:37:51.227630Z",
"structure_string": "Tl1 Cr1 Se2\n1.0\n-1.660897 -2.876756 0.000000\n-3.321793 0.000000 0.000000\n-1.660897 -0.958919 -9.338784\nTl Cr Se\n1 1 2\ndirect\n0.161820 0.161820 0.514541 Tl\n0.996354 0.996352 0.010942 Cr\n0.384363 0.384363 0.846913 Se\n0.275466 0.275465 0.173604 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Cr",
"Se"
],
"chemical_system": "Cr-Se-Tl",
"density": 7.708989925161542,
"density_atomic": 0.04482229273109064,
"volume": 89.24130731102541,
"volume_molar": 13.435592855835303,
"formula_full": "Tl1 Cr1 Se2",
"formula_reduced": "TlCrSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6444141833333332,
"spacegroup": 160
},
{
"id": "jvasp-78833",
"created_at": "2022-09-04T14:37:12.937005Z",
"updated_at": "2022-09-04T14:37:12.937029Z",
"structure_string": "Tl1 Cr1 Se2\n1.0\n-1.661128 -2.877157 0.000000\n-3.322255 0.000000 -0.000000\n-1.661128 -0.959052 -9.338133\nTl Cr Se\n1 1 2\ndirect\n0.161830 0.161831 0.514509 Tl\n0.996349 0.996349 0.010954 Cr\n0.384357 0.384358 0.846929 Se\n0.275464 0.275464 0.173608 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Cr",
"Se"
],
"chemical_system": "Cr-Se-Tl",
"density": 7.707380891325747,
"density_atomic": 0.044812937343899524,
"volume": 89.25993780107628,
"volume_molar": 13.438397741673155,
"formula_full": "Tl1 Cr1 Se2",
"formula_reduced": "TlCrSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6443191833333333,
"spacegroup": 160
},
{
"id": "jvasp-15423",
"created_at": "2022-09-04T14:36:57.310703Z",
"updated_at": "2022-09-04T14:36:57.310713Z",
"structure_string": "Tl1 Cr1 Te2\n1.0\n2.044421 -3.541042 0.000000\n2.044421 3.541042 -0.000000\n0.000000 0.000000 7.959075\nTl Cr Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.500000 Cr\n0.666667 0.333333 0.316969 Te\n0.333333 0.666667 0.683031 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Cr",
"Te"
],
"chemical_system": "Cr-Te-Tl",
"density": 7.371708297579143,
"density_atomic": 0.034710909020201366,
"volume": 115.23754672261808,
"volume_molar": 17.349418180017068,
"formula_full": "Tl1 Cr1 Te2",
"formula_reduced": "TlCrTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4331713833333333,
"spacegroup": 164
},
{
"id": "jvasp-599",
"created_at": "2022-09-04T14:36:06.946521Z",
"updated_at": "2022-09-04T14:36:06.946543Z",
"structure_string": "Tl1 Cr1 Te2\n1.0\n2.043959 -3.540241 0.000000\n2.043959 3.540241 0.000000\n0.000000 0.000000 7.964244\nTl Cr Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.500000 Cr\n0.666666 0.333333 0.316990 Te\n0.333334 0.666667 0.683010 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Cr",
"Te"
],
"chemical_system": "Cr-Te-Tl",
"density": 7.370256214459989,
"density_atomic": 0.034704071646419865,
"volume": 115.26025074964504,
"volume_molar": 17.35283635118145,
"formula_full": "Tl1 Cr1 Te2",
"formula_reduced": "TlCrTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4331813833333331,
"spacegroup": 164
},
{
"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-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-75555",
"created_at": "2022-09-04T14:35:54.122135Z",
"updated_at": "2022-09-04T14:35:54.122153Z",
"structure_string": "Tl1 Cu1 As1\n1.0\n0.000000 3.174093 3.174093\n3.174093 -0.000000 3.174093\n3.174093 3.174093 -0.000000\nTl Cu As\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.749999 0.749999 0.749999 Cu\n0.499999 0.499999 0.499999 As\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Tl",
"Cu",
"As"
],
"chemical_system": "As-Cu-Tl",
"density": 8.9015462719022,
"density_atomic": 0.04690642315616511,
"volume": 63.95712565872116,
"volume_molar": 12.838627110727552,
"formula_full": "Tl1 Cu1 As1",
"formula_reduced": "TlCuAs",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4458015999999998,
"spacegroup": 216
}
]
}