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=539",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=537",
"results": [
{
"id": "jvasp-57505",
"created_at": "2022-09-04T14:37:15.328709Z",
"updated_at": "2022-09-04T14:37:15.328723Z",
"structure_string": "Tl1 Ni2 S2\n1.0\n3.651428 0.000000 -1.039419\n-0.295881 3.639421 -1.039419\n-0.006482 -0.007031 6.910582\nTl Ni S\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.250001 0.750000 0.500000 Ni\n0.750001 0.250000 0.500000 Ni\n0.345794 0.345793 0.691585 S\n0.654208 0.654207 0.308414 S\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tl",
"Ni",
"S"
],
"chemical_system": "Ni-S-Tl",
"density": 6.981789976804753,
"density_atomic": 0.054476951433292356,
"volume": 91.7819347164196,
"volume_molar": 11.05447460174819,
"formula_full": "Tl1 Ni2 S2",
"formula_reduced": "Tl(NiS)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.03744348,
"spacegroup": 139
},
{
"id": "jvasp-36998",
"created_at": "2022-09-04T14:38:11.391983Z",
"updated_at": "2022-09-04T14:38:11.392009Z",
"structure_string": "Tl1 Ni1 O3\n1.0\n3.797969 -0.019874 -0.018367\n0.019781 3.824829 -0.122485\n0.020730 0.414311 3.793243\nTl Ni O\n1 1 3\ndirect\n0.009975 0.974491 -0.009096 Tl\n0.510017 0.499488 0.500204 Ni\n0.010017 0.474234 0.563606 O\n0.510004 0.014154 0.422629 O\n0.509981 0.577632 0.992657 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tl",
"Ni",
"O"
],
"chemical_system": "Ni-O-Tl",
"density": 9.3411684568601,
"density_atomic": 0.09041846727190724,
"volume": 55.29843792821609,
"volume_molar": 6.660299540236801,
"formula_full": "Tl1 Ni1 O3",
"formula_reduced": "TlNiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.4963910999999996,
"spacegroup": 6
},
{
"id": "jvasp-36995",
"created_at": "2022-09-04T14:38:02.551629Z",
"updated_at": "2022-09-04T14:38:02.551648Z",
"structure_string": "Tl1 Ni1 F3\n1.0\n4.113541 -0.000670 -0.000045\n0.000834 4.113571 -0.001152\n0.000053 0.001444 4.113601\nTl Ni F\n1 1 3\ndirect\n0.000020 0.998032 0.987956 Tl\n0.500010 0.498097 0.487944 Ni\n-0.000002 0.497885 0.488031 F\n0.500005 0.497972 0.987996 F\n0.499959 0.998012 0.488065 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tl",
"Ni",
"F"
],
"chemical_system": "F-Ni-Tl",
"density": 7.635537395977643,
"density_atomic": 0.07183117232964407,
"volume": 69.60766249302247,
"volume_molar": 8.383742830151078,
"formula_full": "Tl1 Ni1 F3",
"formula_reduced": "TlNiF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-53082",
"created_at": "2022-09-04T14:35:57.089426Z",
"updated_at": "2022-09-04T14:35:57.089453Z",
"structure_string": "Tl1 N1 O2\n1.0\n3.461538 0.000503 -0.077114\n0.187587 4.459414 0.043384\n0.287748 0.755648 4.390191\nTl N O\n1 1 2\ndirect\n0.000173 0.956707 0.043246 Tl\n0.499867 0.434292 0.565707 N\n0.450073 0.402179 0.293171 O\n0.549891 0.706819 0.597874 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"N",
"O"
],
"chemical_system": "N-O-Tl",
"density": 6.137612746164771,
"density_atomic": 0.05904667924531374,
"volume": 67.74301368213627,
"volume_molar": 10.198949097510763,
"formula_full": "Tl1 N1 O2",
"formula_reduced": "TlNO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.2157682125,
"spacegroup": 5
},
{
"id": "jvasp-36034",
"created_at": "2022-09-04T14:37:15.990089Z",
"updated_at": "2022-09-04T14:37:15.990117Z",
"structure_string": "Tl1 N1\n1.0\n2.478187 2.478187 -0.000000\n2.478187 0.000000 -2.478187\n-0.000000 2.478187 -2.478187\nTl N\n1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500001 0.500001 0.500001 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tl",
"N"
],
"chemical_system": "N-Tl",
"density": 11.913781389008165,
"density_atomic": 0.06570490272747793,
"volume": 30.439128846980175,
"volume_molar": 9.165435926414556,
"formula_full": "Tl1 N1",
"formula_reduced": "TlN",
"formula_anonymous": "AB",
"energy_above_hull": 2.032912925,
"spacegroup": 225
},
{
"id": "jvasp-36140",
"created_at": "2022-09-04T14:37:15.340317Z",
"updated_at": "2022-09-04T14:37:15.340345Z",
"structure_string": "Tl1 N1\n1.0\n2.628771 2.628771 -0.000000\n2.628771 -0.000000 -2.628771\n-0.000000 2.628771 -2.628771\nTl N\n1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.750000 0.750000 0.750000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tl",
"N"
],
"chemical_system": "N-Tl",
"density": 9.981448833786542,
"density_atomic": 0.05504802407305557,
"volume": 36.33191261044632,
"volume_molar": 10.939794591006338,
"formula_full": "Tl1 N1",
"formula_reduced": "TlN",
"formula_anonymous": "AB",
"energy_above_hull": 1.939417925,
"spacegroup": 216
},
{
"id": "jvasp-97617",
"created_at": "2022-09-04T14:36:03.888218Z",
"updated_at": "2022-09-04T14:36:03.888246Z",
"structure_string": "Tl1 Mo6 O17\n1.0\n5.563990 -0.000000 0.000000\n-2.781995 4.818556 -0.000000\n0.000000 -0.000000 13.984039\nTl Mo O\n1 6 17\ndirect\n0.000000 0.000000 0.500000 Tl\n0.666667 0.333334 0.638325 Mo\n0.333334 0.666666 0.361675 Mo\n0.666667 0.333334 0.069916 Mo\n0.000000 0.000000 0.215380 Mo\n0.000000 0.000000 0.784620 Mo\n0.333334 0.666666 0.930085 Mo\n0.841214 0.158787 0.680482 O\n0.672413 0.836207 0.845411 O\n0.163794 0.327588 0.845411 O\n0.163795 0.836207 0.845411 O\n0.327587 0.163793 0.154589 O\n0.500001 0.500000 0.000000 O\n0.682428 0.841213 0.319518 O\n0.158786 0.317572 0.319518 O\n0.158787 0.841213 0.319518 O\n0.836206 0.672412 0.154589 O\n0.836205 0.163793 0.154589 O\n0.333334 0.666666 0.486022 O\n0.666667 0.333334 0.513978 O\n0.500000 0.000000 0.000000 O\n1.000000 0.500000 0.000000 O\n0.317573 0.158787 0.680482 O\n0.841214 0.682428 0.680482 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tl",
"Mo",
"O"
],
"chemical_system": "Mo-O-Tl",
"density": 4.6594469066878625,
"density_atomic": 0.06401405871204709,
"volume": 374.9176428252835,
"volume_molar": 9.407528410421921,
"formula_full": "Tl1 Mo6 O17",
"formula_reduced": "TlMo6O17",
"formula_anonymous": "AB6C17",
"energy_above_hull": 3.9655569791666654,
"spacegroup": 164
},
{
"id": "jvasp-116024",
"created_at": "2022-09-04T14:38:40.252326Z",
"updated_at": "2022-09-04T14:38:40.252351Z",
"structure_string": "Tl1 Mo1 F4\n1.0\n3.950799 -0.000000 -0.000000\n-0.000000 3.950799 0.000000\n-0.000000 -0.000000 6.595059\nTl Mo F\n1 1 4\ndirect\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Mo\n0.000000 0.000000 0.692111 F\n0.000000 0.000000 0.307890 F\n0.500000 0.000000 0.000000 F\n0.000000 0.500000 0.000000 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tl",
"Mo",
"F"
],
"chemical_system": "F-Mo-Tl",
"density": 6.070357648252404,
"density_atomic": 0.058285791029615994,
"volume": 102.94104092970616,
"volume_molar": 10.33209064099353,
"formula_full": "Tl1 Mo1 F4",
"formula_reduced": "TlMoF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.5434066049999998,
"spacegroup": 123
},
{
"id": "jvasp-118303",
"created_at": "2022-09-04T14:38:38.528609Z",
"updated_at": "2022-09-04T14:38:38.528636Z",
"structure_string": "Tl1 Mo1 F1\n1.0\n2.759009 -0.000000 -0.000000\n0.000000 2.759009 0.000000\n-0.000000 0.000000 7.780899\nTl Mo F\n1 1 1\ndirect\n0.000000 0.000000 0.618817 Tl\n0.000000 0.000000 0.029628 Mo\n0.000000 0.000000 0.276635 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Tl",
"Mo",
"F"
],
"chemical_system": "F-Mo-Tl",
"density": 8.952442126739555,
"density_atomic": 0.050650675583278515,
"volume": 59.22921985645539,
"volume_molar": 11.889556636018709,
"formula_full": "Tl1 Mo1 F1",
"formula_reduced": "TlMoF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.4370829274999997,
"spacegroup": 99
},
{
"id": "jvasp-120095",
"created_at": "2022-09-04T14:38:38.546317Z",
"updated_at": "2022-09-04T14:38:38.546345Z",
"structure_string": "Tl1 Mo1 Cl3\n1.0\n5.042324 0.000000 0.000000\n0.000000 5.042324 0.000000\n-0.000000 0.000000 5.042324\nTl Mo Cl\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Tl\n0.499999 0.499999 0.499999 Mo\n0.000000 0.499999 0.499999 Cl\n0.499999 0.499999 0.000000 Cl\n0.499999 0.000000 0.499999 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tl",
"Mo",
"Cl"
],
"chemical_system": "Cl-Mo-Tl",
"density": 5.267591929575078,
"density_atomic": 0.039001181114968156,
"volume": 128.20124563050896,
"volume_molar": 15.440918935885199,
"formula_full": "Tl1 Mo1 Cl3",
"formula_reduced": "TlMoCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.0820661405,
"spacegroup": 221
},
{
"id": "jvasp-120093",
"created_at": "2022-09-04T14:38:50.821211Z",
"updated_at": "2022-09-04T14:38:50.821236Z",
"structure_string": "Tl1 Mo1 Cl2\n1.0\n3.446669 -0.000000 0.000000\n0.000000 3.446669 0.000000\n0.000000 0.000000 7.138642\nTl Mo Cl\n1 1 2\ndirect\n0.500001 0.500001 0.632514 Tl\n0.000000 0.000000 0.979488 Mo\n0.000000 0.000000 0.328292 Cl\n0.500001 0.500001 0.069705 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Mo",
"Cl"
],
"chemical_system": "Cl-Mo-Tl",
"density": 7.269032071476064,
"density_atomic": 0.04716775786664575,
"volume": 84.80369177837396,
"volume_molar": 12.767494221425569,
"formula_full": "Tl1 Mo1 Cl2",
"formula_reduced": "TlMoCl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.39049915875,
"spacegroup": 99
},
{
"id": "jvasp-120094",
"created_at": "2022-09-04T14:38:53.021633Z",
"updated_at": "2022-09-04T14:38:53.021644Z",
"structure_string": "Tl1 Mo1 Cl1\n1.0\n2.900553 0.000000 0.000000\n0.000000 2.900553 0.000000\n0.000000 0.000000 8.639238\nTl Mo Cl\n1 1 1\ndirect\n0.000000 0.000000 0.661216 Tl\n0.000000 0.000000 0.016196 Mo\n0.000000 0.000000 0.273166 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Tl",
"Mo",
"Cl"
],
"chemical_system": "Cl-Mo-Tl",
"density": 7.671178480158194,
"density_atomic": 0.04127472661283139,
"volume": 72.68370371391794,
"volume_molar": 14.590383157444952,
"formula_full": "Tl1 Mo1 Cl1",
"formula_reduced": "TlMoCl",
"formula_anonymous": "ABC",
"energy_above_hull": 1.776430855833333,
"spacegroup": 99
}
]
}