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=1073",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=1071",
"results": [
{
"id": "jvasp-37002",
"created_at": "2022-09-04T14:37:58.155831Z",
"updated_at": "2022-09-04T14:37:58.155853Z",
"structure_string": "Tl2 Ni2 O6\n1.0\n4.671330 0.026739 2.638308\n1.552338 4.405938 2.638308\n0.037543 0.026739 5.364754\nTl Ni O\n2 2 6\ndirect\n0.267677 0.267679 0.267677 Tl\n0.767678 0.767678 0.767677 Tl\n0.007349 0.007349 0.007350 Ni\n0.507348 0.507350 0.507348 Ni\n0.242687 0.847008 0.663779 O\n0.847008 0.663778 0.242689 O\n0.663777 0.242691 0.847006 O\n0.163778 0.347009 0.742687 O\n0.742688 0.163778 0.347005 O\n0.347007 0.742689 0.163778 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tl",
"Ni",
"O"
],
"chemical_system": "Ni-O-Tl",
"density": 9.43140704699785,
"density_atomic": 0.09129193776403191,
"volume": 109.53869799376629,
"volume_molar": 6.596574579855902,
"formula_full": "Tl2 Ni2 O6",
"formula_reduced": "TlNiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.4636190999999996,
"spacegroup": 161
},
{
"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-110487",
"created_at": "2022-09-04T14:38:37.360861Z",
"updated_at": "2022-09-04T14:38:37.360876Z",
"structure_string": "Tl2 Ni2 Cl6\n1.0\n6.825036 -0.000000 0.000000\n-3.412517 5.910654 -0.000000\n-0.000000 0.000000 5.841697\nTl Ni Cl\n2 2 6\ndirect\n0.333333 0.666667 0.750000 Tl\n0.666667 0.333333 0.250000 Tl\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.161022 0.322044 0.250000 Cl\n0.838977 0.677955 0.750000 Cl\n0.677956 0.838977 0.250000 Cl\n0.322044 0.161022 0.750000 Cl\n0.161022 0.838977 0.250000 Cl\n0.838978 0.161022 0.750000 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tl",
"Ni",
"Cl"
],
"chemical_system": "Cl-Ni-Tl",
"density": 5.206410931307938,
"density_atomic": 0.04243463679007507,
"volume": 235.656547491385,
"volume_molar": 14.191569000087451,
"formula_full": "Tl2 Ni2 Cl6",
"formula_reduced": "TlNiCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"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-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-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-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-57308",
"created_at": "2022-09-04T14:37:17.794694Z",
"updated_at": "2022-09-04T14:37:17.794719Z",
"structure_string": "Tl4 Mo2 O8\n1.0\n3.113040 -5.391944 -0.000000\n3.113040 5.391944 0.000000\n-0.000000 -0.000000 8.318704\nTl Mo O\n4 2 8\ndirect\n0.333333 0.666667 0.176929 Tl\n0.000000 0.000000 0.000000 Tl\n0.666667 0.333333 0.823070 Tl\n0.000000 0.000000 0.500000 Tl\n0.666667 0.333333 0.315530 Mo\n0.333333 0.666667 0.684469 Mo\n0.178461 0.821539 0.758887 O\n0.666667 0.333333 0.530032 O\n0.821539 0.643078 0.241112 O\n0.821539 0.178461 0.241112 O\n0.643078 0.821539 0.758887 O\n0.356922 0.178461 0.241112 O\n0.178461 0.356922 0.758887 O\n0.333333 0.666667 0.469967 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Tl",
"Mo",
"O"
],
"chemical_system": "Mo-O-Tl",
"density": 6.763161959140881,
"density_atomic": 0.050131684134369164,
"volume": 279.2645059055958,
"volume_molar": 12.012644027395353,
"formula_full": "Tl4 Mo2 O8",
"formula_reduced": "Tl2MoO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.0964893,
"spacegroup": 164
},
{
"id": "jvasp-89035",
"created_at": "2022-09-04T14:35:48.882937Z",
"updated_at": "2022-09-04T14:35:48.882963Z",
"structure_string": "Tl4 Mo2 O8\n1.0\n6.178258 -0.034325 0.134059\n2.816364 5.499103 0.134059\n0.049462 0.030050 8.029988\nTl Mo O\n4 2 8\ndirect\n0.675704 0.654272 0.176423 Tl\n0.345728 0.324296 0.823578 Tl\n0.048593 0.951406 0.500000 Tl\n-0.002761 0.002761 0.000000 Tl\n0.358676 0.313855 0.307734 Mo\n0.686144 0.641324 0.692267 Mo\n0.218452 0.598938 0.199372 O\n0.401061 0.781548 0.800629 O\n0.296255 0.097859 0.201847 O\n0.902140 0.703745 0.798153 O\n0.676510 0.225175 0.299965 O\n0.774825 0.323490 0.700035 O\n0.649191 0.759922 0.484914 O\n0.240078 0.350808 0.515086 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Tl",
"Mo",
"O"
],
"chemical_system": "Mo-O-Tl",
"density": 6.904599692722028,
"density_atomic": 0.05118008602499487,
"volume": 273.5438934815937,
"volume_molar": 11.766570218461458,
"formula_full": "Tl4 Mo2 O8",
"formula_reduced": "Tl2MoO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.0949535857142854,
"spacegroup": 5
},
{
"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-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
}
]
}