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=4131",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=4129",
"results": [
{
"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
},
{
"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-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-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-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-97433",
"created_at": "2022-09-04T14:35:54.982860Z",
"updated_at": "2022-09-04T14:35:54.982888Z",
"structure_string": "Tl2 Mo6 O18\n1.0\n6.432188 0.009349 -0.329834\n-0.189493 6.903758 -3.499678\n0.013829 -0.147191 8.273325\nTl Mo O\n2 6 18\ndirect\n0.171811 0.311335 0.622669 Tl\n0.828190 0.688666 0.377331 Tl\n0.641224 0.121737 0.243473 Mo\n0.358776 0.878264 0.756527 Mo\n0.268236 0.799121 0.118616 Mo\n0.731765 0.680505 0.881384 Mo\n0.731765 0.200880 0.881384 Mo\n0.268236 0.319496 0.118616 Mo\n0.410420 0.680150 0.835160 O\n0.589582 0.844989 0.164840 O\n0.208932 0.428269 0.340806 O\n0.791069 0.087463 0.659194 O\n0.791069 0.571731 0.659194 O\n0.208932 0.912537 0.340806 O\n0.691257 0.961406 0.922811 O\n0.308743 0.038594 0.077189 O\n0.902694 0.148587 0.297173 O\n0.294842 0.540273 0.080545 O\n0.097307 0.851414 0.702827 O\n0.410419 0.155011 0.835160 O\n0.474492 0.775410 0.550819 O\n0.525509 0.224591 0.449181 O\n0.000000 0.258822 -0.000000 O\n0.000000 0.741178 -0.000000 O\n0.705159 0.459728 0.919455 O\n0.589581 0.319851 0.164840 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Tl",
"Mo",
"O"
],
"chemical_system": "Mo-O-Tl",
"density": 5.802804745477058,
"density_atomic": 0.07140686740678603,
"volume": 364.11063731286345,
"volume_molar": 8.433559654274505,
"formula_full": "Tl2 Mo6 O18",
"formula_reduced": "Tl(MoO3)3",
"formula_anonymous": "AB3C9",
"energy_above_hull": 3.5303939846153845,
"spacegroup": 12
},
{
"id": "jvasp-20878",
"created_at": "2022-09-04T14:38:33.941636Z",
"updated_at": "2022-09-04T14:38:33.941667Z",
"structure_string": "Tl2 Mo6 Se6\n1.0\n4.534985 -7.854824 -0.000000\n4.534984 7.854824 0.000000\n-0.000000 -0.000000 4.517709\nTl Mo Se\n2 6 6\ndirect\n0.333333 0.666666 0.750000 Tl\n0.666666 0.333333 0.250000 Tl\n0.968108 0.817199 0.250000 Mo\n0.817199 0.849090 0.750000 Mo\n0.031891 0.182800 0.750000 Mo\n0.182800 0.150909 0.250000 Mo\n0.849091 0.031891 0.250000 Mo\n0.150908 0.968108 0.750000 Mo\n0.934723 0.635248 0.750000 Se\n0.299475 0.934723 0.250000 Se\n0.700524 0.065276 0.750000 Se\n0.065276 0.364751 0.250000 Se\n0.635248 0.700524 0.250000 Se\n0.364751 0.299475 0.750000 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Tl",
"Mo",
"Se"
],
"chemical_system": "Mo-Se-Tl",
"density": 7.523080854641423,
"density_atomic": 0.043497822964560756,
"volume": 321.85518827933765,
"volume_molar": 13.844694629674812,
"formula_full": "Tl2 Mo6 Se6",
"formula_reduced": "Tl(MoSe)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 3.4333143428571424,
"spacegroup": 176
},
{
"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-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-35668",
"created_at": "2022-09-04T14:37:31.304191Z",
"updated_at": "2022-09-04T14:37:31.304216Z",
"structure_string": "Tl2 N2\n1.0\n1.861350 -3.223952 -0.000000\n1.861350 3.223952 -0.000000\n0.000000 0.000000 6.049490\nTl N\n2 2\ndirect\n0.666667 0.333333 0.501365 Tl\n0.333333 0.666667 0.001365 Tl\n0.666667 0.333333 0.123635 N\n0.333333 0.666667 0.623635 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tl",
"N"
],
"chemical_system": "N-Tl",
"density": 9.989562578570894,
"density_atomic": 0.05509277164684463,
"volume": 72.60480604680369,
"volume_molar": 10.930909046658773,
"formula_full": "Tl2 N2",
"formula_reduced": "TlN",
"formula_anonymous": "AB",
"energy_above_hull": 1.939627925,
"spacegroup": 186
},
{
"id": "jvasp-8177",
"created_at": "2022-09-04T14:37:03.962874Z",
"updated_at": "2022-09-04T14:37:03.962892Z",
"structure_string": "Tl2 N6\n1.0\n5.216319 0.064043 -2.313451\n-3.026934 4.715824 -1.079267\n0.041107 -0.064043 5.706168\nTl N\n2 6\ndirect\n0.000001 0.750000 0.750000 Tl\n0.000000 0.250000 0.250000 Tl\n0.500001 0.865766 0.634233 N\n0.768467 0.634232 0.134233 N\n0.500000 0.000000 0.500000 N\n0.500000 0.499999 -0.000000 N\n0.500000 0.134233 0.365767 N\n0.231534 0.365767 0.865767 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tl",
"N"
],
"chemical_system": "N-Tl",
"density": 5.799191384793214,
"density_atomic": 0.05669328722813548,
"volume": 141.11018060758695,
"volume_molar": 10.622317128598887,
"formula_full": "Tl2 N6",
"formula_reduced": "TlN3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.7769305875,
"spacegroup": 140
},
{
"id": "jvasp-4744",
"created_at": "2022-09-04T14:35:48.402096Z",
"updated_at": "2022-09-04T14:35:48.402126Z",
"structure_string": "Tl2 Ni2\n1.0\n2.078938 -3.600827 0.000000\n2.078938 3.600827 0.000000\n0.000000 0.000000 5.075143\nTl Ni\n2 2\ndirect\n0.333333 0.666668 0.250000 Tl\n0.666668 0.333333 0.749999 Tl\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tl",
"Ni"
],
"chemical_system": "Ni-Tl",
"density": 11.498452759151633,
"density_atomic": 0.05264267117669578,
"volume": 75.98398619579828,
"volume_molar": 11.439656509424852,
"formula_full": "Tl2 Ni2",
"formula_reduced": "TlNi",
"formula_anonymous": "AB",
"energy_above_hull": 0.2363475,
"spacegroup": 194
}
]
}