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=chemical_system&page=3467",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3465",
"results": [
{
"id": "jvasp-86850",
"created_at": "2022-09-04T14:38:14.576025Z",
"updated_at": "2022-09-04T14:38:14.576054Z",
"structure_string": "Nb2 I10\n1.0\n7.042367 -0.006060 -0.111866\n-3.427144 6.361039 -2.485712\n0.002752 0.016537 10.384988\nNb I\n2 10\ndirect\n0.107488 0.223484 0.223814 Nb\n0.892513 0.776516 0.776186 Nb\n0.871803 0.389133 0.149625 I\n0.750593 0.809085 0.046210 I\n0.317908 0.004138 0.250256 I\n0.682093 0.995863 0.749744 I\n0.249408 0.190915 0.953790 I\n0.128198 0.610868 0.850376 I\n0.462962 0.593795 0.337694 I\n0.924063 0.187845 0.443354 I\n0.537039 0.406206 0.662306 I\n0.075938 0.812155 0.556646 I\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Nb",
"I"
],
"chemical_system": "I-Nb",
"density": 5.192065393789562,
"density_atomic": 0.02579003057577688,
"volume": 465.2960749597142,
"volume_molar": 23.350653820690916,
"formula_full": "Nb2 I10",
"formula_reduced": "NbI5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.6445501291666663,
"spacegroup": 2
},
{
"id": "jvasp-29372",
"created_at": "2022-09-04T14:37:06.633367Z",
"updated_at": "2022-09-04T14:37:06.633392Z",
"structure_string": "Nb2 I4 O2\n1.0\n3.806913 -0.000123 -0.983843\n-0.507361 7.303628 -1.962362\n0.024215 0.012378 7.951207\nNb I O\n2 4 2\ndirect\n0.021378 0.291860 0.001135 Nb\n0.020265 0.708140 0.998865 Nb\n0.847855 0.413749 0.689644 I\n0.872649 0.932076 0.743782 I\n0.128903 0.067925 0.256220 I\n0.158240 0.586252 0.310357 I\n0.507308 0.286916 0.001914 O\n0.505404 0.713085 0.998088 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Nb",
"I",
"O"
],
"chemical_system": "I-Nb-O",
"density": 5.442084813243519,
"density_atomic": 0.036141903239588886,
"volume": 221.34971550798164,
"volume_molar": 16.662489299687753,
"formula_full": "Nb2 I4 O2",
"formula_reduced": "NbI2O",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4790538624999998,
"spacegroup": 5
},
{
"id": "jvasp-26367",
"created_at": "2022-09-04T14:37:48.384314Z",
"updated_at": "2022-09-04T14:37:48.384331Z",
"structure_string": "Nb2 I4 O2\n1.0\n-3.932121 0.000182 -0.000669\n-0.000093 -7.579360 0.012056\n1.965105 2.057212 7.427740\nNb I O\n2 4 2\ndirect\n0.020296 0.708134 0.998874 Nb\n0.021480 0.291868 0.001125 Nb\n0.158162 0.586110 0.310240 I\n0.128817 0.067810 0.256111 I\n0.872648 0.932192 0.743889 I\n0.847860 0.413893 0.689761 I\n0.505389 0.713041 0.998078 O\n0.507339 0.286953 0.001922 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Nb",
"I",
"O"
],
"chemical_system": "I-Nb-O",
"density": 5.4394678932929645,
"density_atomic": 0.03612452378467695,
"volume": 221.45620652841342,
"volume_molar": 16.670505598621705,
"formula_full": "Nb2 I4 O2",
"formula_reduced": "NbI2O",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4790063624999998,
"spacegroup": 5
},
{
"id": "jvasp-29443",
"created_at": "2022-09-04T14:37:54.454969Z",
"updated_at": "2022-09-04T14:37:54.454990Z",
"structure_string": "Nb4 I4 O8\n1.0\n3.819500 -0.000000 0.000000\n0.000000 3.962279 0.000000\n0.000000 0.000000 21.041706\nNb I O\n4 4 8\ndirect\n0.250000 0.542566 0.932871 Nb\n0.750000 0.042566 0.567129 Nb\n0.750000 0.457434 0.067129 Nb\n0.250000 0.957434 0.432871 Nb\n0.250000 0.996869 0.675723 I\n0.750000 0.003131 0.324277 I\n0.250000 0.503131 0.175723 I\n0.750000 0.496869 0.824277 I\n0.250000 0.494848 0.425844 O\n0.750000 0.505152 0.574156 O\n0.250000 0.005152 0.925845 O\n0.750000 0.005658 0.467681 O\n0.250000 0.994342 0.532319 O\n0.250000 0.505658 0.032319 O\n0.750000 0.994849 0.074156 O\n0.750000 0.494342 0.967681 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Nb",
"I",
"O"
],
"chemical_system": "I-Nb-O",
"density": 5.25229297093134,
"density_atomic": 0.05024437720260171,
"volume": 318.4435929115567,
"volume_molar": 11.98570087895958,
"formula_full": "Nb4 I4 O8",
"formula_reduced": "NbIO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.98039816875,
"spacegroup": 62
},
{
"id": "jvasp-116196",
"created_at": "2022-09-04T14:38:50.534965Z",
"updated_at": "2022-09-04T14:38:50.534995Z",
"structure_string": "Nb1 I1 O1\n1.0\n5.544962 -0.119174 0.000000\n0.084339 3.906672 0.000000\n0.000000 0.000000 3.410550\nNb I O\n1 1 1\ndirect\n-0.047756 -0.097146 0.000000 Nb\n0.452245 -0.096615 0.000000 I\n-0.047747 0.402949 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Nb",
"I",
"O"
],
"chemical_system": "I-Nb-O",
"density": 5.297614737913032,
"density_atomic": 0.040587270894697464,
"volume": 73.91479973569585,
"volume_molar": 14.837510941852374,
"formula_full": "Nb1 I1 O1",
"formula_reduced": "NbIO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.9112930583333327,
"spacegroup": 47
},
{
"id": "jvasp-116199",
"created_at": "2022-09-04T14:38:50.577897Z",
"updated_at": "2022-09-04T14:38:50.577922Z",
"structure_string": "Nb2 I2 O2\n1.0\n3.676949 0.000000 -0.000000\n0.000000 3.676949 0.000000\n0.000000 -0.000000 8.902067\nNb I O\n2 2 2\ndirect\n0.000000 0.500001 0.125725 Nb\n0.500001 0.000000 0.874275 Nb\n0.000000 0.500001 0.686454 I\n0.500001 0.000000 0.313546 I\n0.000000 0.000000 0.000000 O\n0.500001 0.500001 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nb",
"I",
"O"
],
"chemical_system": "I-Nb-O",
"density": 6.506923500322918,
"density_atomic": 0.049852297659289474,
"volume": 120.35553588736066,
"volume_molar": 12.079966305981957,
"formula_full": "Nb2 I2 O2",
"formula_reduced": "NbIO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.838403058333333,
"spacegroup": 129
},
{
"id": "jvasp-25591",
"created_at": "2022-09-04T14:38:29.625239Z",
"updated_at": "2022-09-04T14:38:29.625251Z",
"structure_string": "Nb4 I4 O8\n1.0\n3.819255 -0.000000 0.000000\n0.000000 3.962468 0.000000\n0.000000 0.000000 21.037399\nNb I O\n4 4 8\ndirect\n0.250000 0.542681 0.932856 Nb\n0.750001 0.042681 0.567144 Nb\n0.750001 0.457319 0.067144 Nb\n0.250000 0.957320 0.432856 Nb\n0.250000 0.996991 0.675762 I\n0.750001 0.003010 0.324238 I\n0.250000 0.503010 0.175762 I\n0.750001 0.496991 0.824238 I\n0.250000 0.494773 0.425835 O\n0.750001 0.505228 0.574165 O\n0.250000 0.005227 0.925835 O\n0.750001 0.005593 0.467673 O\n0.250000 0.994408 0.532327 O\n0.250000 0.505593 0.032327 O\n0.750001 0.994773 0.074165 O\n0.750001 0.494407 0.967673 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Nb",
"I",
"O"
],
"chemical_system": "I-Nb-O",
"density": 5.25345468375419,
"density_atomic": 0.050255490355960705,
"volume": 318.3731744864424,
"volume_molar": 11.983050443533731,
"formula_full": "Nb4 I4 O8",
"formula_reduced": "NbIO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.98037566875,
"spacegroup": 62
},
{
"id": "jvasp-116194",
"created_at": "2022-09-04T14:38:30.537722Z",
"updated_at": "2022-09-04T14:38:30.537742Z",
"structure_string": "Nb1 I1 O2\n1.0\n3.090040 0.000000 0.000000\n0.000000 3.090040 0.000000\n0.000000 -0.000000 8.097909\nNb I O\n1 1 2\ndirect\n0.499999 0.499999 0.429553 Nb\n0.000000 0.000000 0.890607 I\n0.000000 0.000000 0.472776 O\n0.499999 0.499999 0.217064 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"I",
"O"
],
"chemical_system": "I-Nb-O",
"density": 5.4077968952668085,
"density_atomic": 0.05173195565148832,
"volume": 77.32164673896145,
"volume_molar": 11.641046011425521,
"formula_full": "Nb1 I1 O2",
"formula_reduced": "NbIO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.11459566875,
"spacegroup": 99
},
{
"id": "jvasp-26040",
"created_at": "2022-09-04T14:38:31.273313Z",
"updated_at": "2022-09-04T14:38:31.273334Z",
"structure_string": "Nb4 Se4 I12\n1.0\n7.120392 0.001634 0.081220\n3.559949 7.029259 0.040684\n2.172329 0.000718 13.662687\nNb Se I\n4 4 12\ndirect\n0.993232 0.876545 0.656305 Nb\n0.130293 0.876551 0.843701 Nb\n0.006768 0.123455 0.343695 Nb\n0.869707 0.123449 0.156299 Nb\n0.350417 0.613395 0.704317 Se\n0.036424 0.613359 0.795688 Se\n0.649583 0.386604 0.295683 Se\n0.963576 0.386641 0.204312 Se\n0.200882 0.110705 0.691668 I\n0.688390 0.110667 0.808335 I\n0.476482 0.296938 0.090026 I\n0.226462 0.296931 0.409958 I\n0.523518 0.703062 0.909974 I\n0.056908 0.202369 0.965954 I\n0.943092 0.797631 0.034045 I\n0.259352 0.797632 0.465957 I\n0.311610 0.889332 0.191665 I\n0.740647 0.202367 0.534043 I\n0.773538 0.703068 0.590042 I\n0.799118 0.889295 0.308332 I\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Nb",
"Se",
"I"
],
"chemical_system": "I-Nb-Se",
"density": 5.377660223587966,
"density_atomic": 0.029303484694121164,
"volume": 682.5126843706878,
"volume_molar": 20.55093727882867,
"formula_full": "Nb4 Se4 I12",
"formula_reduced": "NbSeI3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.1549483183333331,
"spacegroup": 15
},
{
"id": "jvasp-23872",
"created_at": "2022-09-04T14:37:39.522996Z",
"updated_at": "2022-09-04T14:37:39.523024Z",
"structure_string": "Nb4 Se4 I4\n1.0\n6.661674 -0.000000 3.846119\n2.220558 6.280687 3.846119\n0.000000 0.000000 7.692239\nNb Se I\n4 4 4\ndirect\n0.401500 0.401501 0.401501 Nb\n0.795498 0.401501 0.401501 Nb\n0.401500 0.401501 0.795499 Nb\n0.401500 0.795499 0.401500 Nb\n0.102793 0.632402 0.632402 Se\n0.632402 0.102793 0.632402 Se\n0.632402 0.632402 0.102793 Se\n0.632402 0.632402 0.632402 Se\n0.126482 0.126482 0.126482 I\n0.126482 0.126482 0.620555 I\n0.620554 0.126482 0.126482 I\n0.126482 0.620555 0.126482 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nb",
"Se",
"I"
],
"chemical_system": "I-Nb-Se",
"density": 6.166007026906844,
"density_atomic": 0.03728532645271218,
"volume": 321.84242815251264,
"volume_molar": 16.151503373955148,
"formula_full": "Nb4 Se4 I4",
"formula_reduced": "NbSeI",
"formula_anonymous": "ABC",
"energy_above_hull": 1.6891430138888892,
"spacegroup": 216
},
{
"id": "jvasp-59032",
"created_at": "2022-09-04T14:38:15.725201Z",
"updated_at": "2022-09-04T14:38:15.725230Z",
"structure_string": "Nb6 Te2 I14\n1.0\n3.851219 -6.670508 -0.000000\n3.851219 6.670508 0.000000\n-0.000000 0.000000 13.986558\nNb Te I\n6 2 14\ndirect\n0.867563 0.132437 0.249635 Nb\n0.735125 0.867563 0.749636 Nb\n0.132437 0.264875 0.749636 Nb\n0.867563 0.735125 0.249635 Nb\n0.264875 0.132437 0.249635 Nb\n0.132437 0.867563 0.749636 Nb\n0.000000 0.000000 0.100318 Te\n0.000000 0.000000 0.600318 Te\n0.498333 0.996666 0.138019 I\n0.501667 0.003334 0.638019 I\n0.996666 0.498333 0.638019 I\n0.498333 0.501667 0.138019 I\n0.830597 0.169403 0.881790 I\n0.661194 0.830597 0.381790 I\n0.169403 0.830597 0.381790 I\n0.830597 0.661194 0.881790 I\n0.338806 0.169403 0.881790 I\n0.003334 0.501667 0.138019 I\n0.333333 0.666667 0.856547 I\n0.666667 0.333333 0.356546 I\n0.169403 0.338806 0.381790 I\n0.501667 0.498333 0.638019 I\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Nb",
"Te",
"I"
],
"chemical_system": "I-Nb-Te",
"density": 5.983201675945553,
"density_atomic": 0.03061432650241362,
"volume": 718.6178013181355,
"volume_molar": 19.6709888735433,
"formula_full": "Nb6 Te2 I14",
"formula_reduced": "Nb3TeI7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 1.6154245356060606,
"spacegroup": 186
},
{
"id": "jvasp-5575",
"created_at": "2022-09-04T14:38:16.755652Z",
"updated_at": "2022-09-04T14:38:16.755678Z",
"structure_string": "Nb8 Te24 I4\n1.0\n0.000000 9.313847 -0.039329\n13.559543 0.000000 0.000000\n0.000000 -3.753654 -9.015653\nNb Te I\n8 24 4\ndirect\n0.824685 0.992967 0.870585 Nb\n0.175316 0.492967 0.629415 Nb\n0.175315 0.007033 0.129415 Nb\n0.824685 0.507033 0.370585 Nb\n0.475790 0.974977 0.631803 Nb\n0.524211 0.474977 0.868196 Nb\n0.524211 0.025023 0.368197 Nb\n0.475790 0.525023 0.131803 Nb\n0.085116 0.090389 0.838488 Te\n0.914885 0.590388 0.661511 Te\n0.545135 0.068652 0.911300 Te\n0.454866 0.568652 0.588700 Te\n0.454865 0.931348 0.088700 Te\n0.348663 0.855752 0.359023 Te\n0.651338 0.144248 0.640977 Te\n0.348663 0.644248 0.859023 Te\n0.085116 0.409611 0.338488 Te\n0.651338 0.355752 0.140977 Te\n0.545135 0.431348 0.411300 Te\n0.914884 0.909611 0.161512 Te\n0.955823 0.332445 0.532779 Te\n0.955823 0.167555 0.032779 Te\n0.044178 0.832445 0.967220 Te\n0.623403 0.692741 0.274312 Te\n0.376597 0.192741 0.225688 Te\n0.376597 0.307259 0.725688 Te\n0.623403 0.807259 0.774311 Te\n0.758916 0.601962 0.088589 Te\n0.241084 0.101962 0.411411 Te\n0.241084 0.398038 0.911411 Te\n0.758916 0.898038 0.588589 Te\n0.044178 0.667555 0.467220 Te\n0.812977 0.084240 0.345656 I\n0.187024 0.915759 0.654344 I\n0.812977 0.415759 0.845656 I\n0.187024 0.584240 0.154344 I\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Nb",
"Te",
"I"
],
"chemical_system": "I-Nb-Te",
"density": 6.279447523577115,
"density_atomic": 0.031562275236550565,
"volume": 1140.602181882957,
"volume_molar": 19.08018580683969,
"formula_full": "Nb8 Te24 I4",
"formula_reduced": "Nb2Te6I",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.081641297222223,
"spacegroup": 14
}
]
}