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=3835",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=3833",
"results": [
{
"id": "jvasp-58951",
"created_at": "2022-09-04T14:38:35.054278Z",
"updated_at": "2022-09-04T14:38:35.054303Z",
"structure_string": "Ta6 Se2 I14\n1.0\n3.807006 -6.593927 0.000000\n3.807006 6.593927 -0.000000\n-0.000000 0.000000 13.744327\nTa Se I\n6 2 14\ndirect\n0.129531 0.870470 0.750260 Ta\n0.259062 0.129531 0.250260 Ta\n0.870470 0.740939 0.250260 Ta\n0.129531 0.259062 0.750260 Ta\n0.740939 0.870470 0.750260 Ta\n0.870470 0.129531 0.250260 Ta\n0.000000 0.000000 0.888516 Se\n0.000000 0.000000 0.388515 Se\n0.830926 0.661852 0.614310 I\n0.169075 0.338149 0.114310 I\n0.661852 0.830926 0.114310 I\n0.830926 0.169075 0.614310 I\n0.666668 0.333334 0.144112 I\n0.333334 0.666668 0.644112 I\n0.994688 0.497345 0.863389 I\n0.005313 0.502657 0.363389 I\n0.497344 0.502657 0.363389 I\n0.338149 0.169075 0.614310 I\n0.502657 0.005313 0.863389 I\n0.497345 0.994688 0.363389 I\n0.502657 0.497344 0.863389 I\n0.169075 0.830926 0.114310 I\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ta",
"Se",
"I"
],
"chemical_system": "I-Se-Ta",
"density": 7.267979191355699,
"density_atomic": 0.0318817028626989,
"volume": 690.050970449877,
"volume_molar": 18.889018525562545,
"formula_full": "Ta6 Se2 I14",
"formula_reduced": "Ta3SeI7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.0747413537878785,
"spacegroup": 186
},
{
"id": "jvasp-5629",
"created_at": "2022-09-04T14:37:07.416679Z",
"updated_at": "2022-09-04T14:37:07.416705Z",
"structure_string": "Ta6 Se2 I14\n1.0\n3.807006 -6.593927 -0.000000\n3.807006 6.593927 0.000000\n-0.000000 -0.000000 13.744326\nTa Se I\n6 2 14\ndirect\n0.129531 0.870470 0.750260 Ta\n0.259062 0.129531 0.250260 Ta\n0.870470 0.740939 0.250260 Ta\n0.129531 0.259062 0.750260 Ta\n0.740939 0.870470 0.750260 Ta\n0.870470 0.129531 0.250260 Ta\n0.000000 0.000000 0.888516 Se\n0.000000 0.000000 0.388515 Se\n0.830926 0.661852 0.614310 I\n0.169075 0.338149 0.114310 I\n0.661852 0.830926 0.114310 I\n0.830926 0.169075 0.614310 I\n0.666668 0.333334 0.144112 I\n0.333334 0.666668 0.644112 I\n0.994688 0.497345 0.863389 I\n0.005313 0.502657 0.363389 I\n0.497344 0.502657 0.363389 I\n0.338149 0.169075 0.614310 I\n0.502657 0.005313 0.863389 I\n0.497345 0.994688 0.363389 I\n0.502657 0.497344 0.863389 I\n0.169075 0.830926 0.114310 I\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ta",
"Se",
"I"
],
"chemical_system": "I-Se-Ta",
"density": 7.267979720154215,
"density_atomic": 0.03188170518232541,
"volume": 690.0509202436377,
"volume_molar": 18.889017151248726,
"formula_full": "Ta6 Se2 I14",
"formula_reduced": "Ta3SeI7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.0747413537878785,
"spacegroup": 186
},
{
"id": "jvasp-13945",
"created_at": "2022-09-04T14:37:03.828343Z",
"updated_at": "2022-09-04T14:37:03.828358Z",
"structure_string": "Ta6 Se2 I14\n1.0\n3.807010 -6.593936 -0.000000\n3.807010 6.593936 -0.000000\n-0.000000 0.000000 13.744315\nTa Se I\n6 2 14\ndirect\n0.129530 0.870469 0.750260 Ta\n0.259062 0.129531 0.250260 Ta\n0.870469 0.740937 0.250260 Ta\n0.129531 0.259062 0.750260 Ta\n0.740937 0.870469 0.750260 Ta\n0.870469 0.129530 0.250260 Ta\n0.000000 0.000000 0.888515 Se\n0.000000 0.000000 0.388515 Se\n0.830925 0.661851 0.614310 I\n0.169075 0.338149 0.114310 I\n0.661851 0.830925 0.114310 I\n0.830926 0.169074 0.614310 I\n0.666667 0.333333 0.144112 I\n0.333333 0.666667 0.644112 I\n0.994687 0.497343 0.863389 I\n0.005313 0.502657 0.363389 I\n0.497343 0.502656 0.363389 I\n0.338149 0.169075 0.614310 I\n0.502657 0.005313 0.863389 I\n0.497343 0.994687 0.363389 I\n0.502656 0.497343 0.863389 I\n0.169074 0.830926 0.114310 I\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ta",
"Se",
"I"
],
"chemical_system": "I-Se-Ta",
"density": 7.267967980525745,
"density_atomic": 0.03188165368529483,
"volume": 690.0520348524873,
"volume_molar": 18.88904766184593,
"formula_full": "Ta6 Se2 I14",
"formula_reduced": "Ta3SeI7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.0747413537878785,
"spacegroup": 186
},
{
"id": "jvasp-21001",
"created_at": "2022-09-04T14:37:42.136120Z",
"updated_at": "2022-09-04T14:37:42.136144Z",
"structure_string": "Ta6 Si7 Ni16\n1.0\n6.900336 -0.000000 3.983910\n2.300112 6.505699 3.983910\n-0.000000 -0.000000 7.967821\nTa Si Ni\n6 7 16\ndirect\n0.797872 0.202128 0.202128 Ta\n0.202128 0.202128 0.797872 Ta\n0.797872 0.202128 0.797872 Ta\n0.202128 0.797872 0.202128 Ta\n0.202128 0.797872 0.797872 Ta\n0.797872 0.797872 0.202128 Ta\n0.500000 0.500000 0.500000 Si\n0.500000 0.000000 0.500000 Si\n-0.000000 0.500000 0.000000 Si\n-0.000000 0.500000 0.500000 Si\n0.500000 0.500000 -0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.500000 0.000000 -0.000000 Si\n0.833401 0.833401 0.499798 Ni\n0.166599 0.166599 0.166599 Ni\n0.616634 0.616634 0.616633 Ni\n0.383366 0.383366 0.849900 Ni\n0.383366 0.849900 0.383366 Ni\n0.616634 0.150100 0.616633 Ni\n0.150100 0.616634 0.616634 Ni\n0.616634 0.616634 0.150100 Ni\n0.833401 0.833401 0.833400 Ni\n0.166599 0.166599 0.500201 Ni\n0.166599 0.500201 0.166599 Ni\n0.500202 0.166599 0.166599 Ni\n0.833401 0.499799 0.833400 Ni\n0.499799 0.833401 0.833401 Ni\n0.849900 0.383366 0.383366 Ni\n0.383366 0.383366 0.383366 Ni\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Ta",
"Si",
"Ni"
],
"chemical_system": "Ni-Si-Ta",
"density": 10.312601043029611,
"density_atomic": 0.08107635668312116,
"volume": 357.68750825032265,
"volume_molar": 7.427739733714152,
"formula_full": "Ta6 Si7 Ni16",
"formula_reduced": "Ta6Si7Ni16",
"formula_anonymous": "A6B7C16",
"energy_above_hull": 3.474508406896552,
"spacegroup": 225
},
{
"id": "jvasp-18790",
"created_at": "2022-09-04T14:36:10.311471Z",
"updated_at": "2022-09-04T14:36:10.311502Z",
"structure_string": "Ta6 Sn2\n1.0\n5.314984 -0.000000 -0.000000\n0.000000 5.314984 -0.000000\n0.000000 0.000000 5.314984\nTa Sn\n6 2\ndirect\n0.250000 0.000000 0.500000 Ta\n0.749999 0.000000 0.500000 Ta\n0.000000 0.500000 0.250000 Ta\n0.000000 0.500000 0.749999 Ta\n0.500000 0.749999 0.000000 Ta\n0.500000 0.250000 0.000000 Ta\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ta",
"Sn"
],
"chemical_system": "Sn-Ta",
"density": 14.633165081605721,
"density_atomic": 0.0532824397527009,
"volume": 150.1432749162819,
"volume_molar": 11.302299196415335,
"formula_full": "Ta6 Sn2",
"formula_reduced": "Ta3Sn",
"formula_anonymous": "AB3",
"energy_above_hull": 5.133079824999999,
"spacegroup": 223
},
{
"id": "jvasp-22384",
"created_at": "2022-09-04T14:38:35.067452Z",
"updated_at": "2022-09-04T14:38:35.067468Z",
"structure_string": "Ta6 Sn2 S12\n1.0\n2.903193 -5.028479 0.000000\n2.903193 5.028479 -0.000000\n0.000000 -0.000000 14.645955\nTa Sn S\n6 2 12\ndirect\n0.333332 0.666667 0.250000 Ta\n0.666667 0.333332 0.750000 Ta\n0.666667 0.333332 0.250000 Ta\n0.333332 0.666667 0.750000 Ta\n0.000000 0.000000 0.250000 Ta\n0.000000 0.000000 0.750000 Ta\n0.000000 0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n-0.000000 0.336578 0.357017 S\n0.336578 0.336578 0.857016 S\n-0.000000 0.663421 0.857016 S\n-0.000000 0.663421 0.642983 S\n0.663421 -0.000000 0.642983 S\n-0.000000 0.336578 0.142983 S\n0.336578 0.336578 0.642983 S\n0.663421 0.663421 0.142983 S\n0.336578 -0.000000 0.357017 S\n0.336578 -0.000000 0.142983 S\n0.663421 0.663421 0.357017 S\n0.663421 -0.000000 0.857016 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ta",
"Sn",
"S"
],
"chemical_system": "S-Sn-Ta",
"density": 6.632054120174787,
"density_atomic": 0.04677025693807221,
"volume": 427.6221964416765,
"volume_molar": 12.876005295360736,
"formula_full": "Ta6 Sn2 S12",
"formula_reduced": "Ta3SnS6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 3.71628693,
"spacegroup": 193
},
{
"id": "jvasp-5632",
"created_at": "2022-09-04T14:37:40.063999Z",
"updated_at": "2022-09-04T14:37:40.064035Z",
"structure_string": "Ta6 Te2 I14\n1.0\n3.827041 -6.628628 0.000000\n3.827041 6.628628 0.000000\n0.000000 0.000000 14.080248\nTa Te I\n6 2 14\ndirect\n0.130506 0.869494 0.750105 Ta\n0.261013 0.130506 0.250105 Ta\n0.869494 0.738987 0.250105 Ta\n0.130506 0.261013 0.750105 Ta\n0.738987 0.869494 0.750105 Ta\n0.869494 0.130506 0.250105 Ta\n0.000000 0.000000 0.900395 Te\n0.000000 0.000000 0.400395 Te\n0.830582 0.661164 0.618117 I\n0.169418 0.338836 0.118117 I\n0.661164 0.830582 0.118117 I\n0.830582 0.169418 0.618117 I\n0.666667 0.333333 0.144786 I\n0.333333 0.666667 0.644786 I\n0.996470 0.498234 0.859617 I\n0.003530 0.501765 0.359617 I\n0.498234 0.501765 0.359617 I\n0.338836 0.169418 0.618117 I\n0.501765 0.003530 0.859617 I\n0.498234 0.996470 0.359617 I\n0.501765 0.498234 0.859617 I\n0.169418 0.830582 0.118117 I\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ta",
"Te",
"I"
],
"chemical_system": "I-Ta-Te",
"density": 7.246619254931114,
"density_atomic": 0.030796092751275428,
"volume": 714.376339157144,
"volume_molar": 19.554885772808273,
"formula_full": "Ta6 Te2 I14",
"formula_reduced": "Ta3TeI7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.028157208333333,
"spacegroup": 186
},
{
"id": "jvasp-58952",
"created_at": "2022-09-04T14:38:14.573145Z",
"updated_at": "2022-09-04T14:38:14.573169Z",
"structure_string": "Ta6 Te2 I14\n1.0\n3.827042 -6.628630 -0.000000\n3.827042 6.628630 0.000000\n0.000000 -0.000000 14.080255\nTa Te I\n6 2 14\ndirect\n0.130506 0.869494 0.750105 Ta\n0.261012 0.130506 0.250105 Ta\n0.869493 0.738987 0.250105 Ta\n0.130506 0.261012 0.750105 Ta\n0.738987 0.869493 0.750105 Ta\n0.869494 0.130506 0.250105 Ta\n0.000000 0.000000 0.900395 Te\n0.000000 0.000000 0.400395 Te\n0.830582 0.661164 0.618117 I\n0.169418 0.338835 0.118117 I\n0.661164 0.830582 0.118117 I\n0.830582 0.169418 0.618117 I\n0.666667 0.333333 0.144786 I\n0.333333 0.666667 0.644785 I\n0.996470 0.498234 0.859616 I\n0.003530 0.501765 0.359616 I\n0.498234 0.501765 0.359616 I\n0.338835 0.169418 0.618117 I\n0.501765 0.003530 0.859616 I\n0.498234 0.996470 0.359616 I\n0.501765 0.498234 0.859616 I\n0.169418 0.830582 0.118117 I\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ta",
"Te",
"I"
],
"chemical_system": "I-Ta-Te",
"density": 7.246611572285583,
"density_atomic": 0.03079606010219369,
"volume": 714.377096518034,
"volume_molar": 19.55490650432594,
"formula_full": "Ta6 Te2 I14",
"formula_reduced": "Ta3TeI7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.028157208333333,
"spacegroup": 186
},
{
"id": "jvasp-112294",
"created_at": "2022-09-04T14:38:26.336236Z",
"updated_at": "2022-09-04T14:38:26.336271Z",
"structure_string": "Ta6 V2 Se12\n1.0\n6.037071 -0.000000 0.000000\n-3.018536 5.228257 0.000000\n0.000000 0.000000 12.837614\nTa V Se\n6 2 12\ndirect\n0.000000 0.000000 0.500000 Ta\n0.000000 0.000000 0.000000 Ta\n0.333333 0.666667 0.000501 Ta\n0.666666 0.333334 -0.000501 Ta\n0.666666 0.333334 0.500501 Ta\n0.333333 0.666667 0.499499 Ta\n0.333333 0.666667 0.250000 V\n0.666666 0.333334 0.750000 V\n0.671578 0.666785 0.131048 Se\n0.004794 0.333216 0.868951 Se\n0.328421 0.995207 0.868951 Se\n0.666784 0.671579 0.868951 Se\n0.666784 0.995207 0.631048 Se\n0.671578 0.004794 0.368952 Se\n0.328422 0.333216 0.631048 Se\n0.995206 0.666785 0.368952 Se\n0.995206 0.328422 0.131048 Se\n0.333216 0.328422 0.368952 Se\n0.004794 0.671579 0.631048 Se\n0.333216 0.004794 0.131048 Se\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ta",
"V",
"Se"
],
"chemical_system": "Se-Ta-V",
"density": 8.749793762718477,
"density_atomic": 0.04935855890671761,
"volume": 405.19821572987695,
"volume_molar": 12.200803454130826,
"formula_full": "Ta6 V2 Se12",
"formula_reduced": "Ta3VSe6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 3.8510422,
"spacegroup": 182
},
{
"id": "jvasp-20925",
"created_at": "2022-09-04T14:38:33.594142Z",
"updated_at": "2022-09-04T14:38:33.594160Z",
"structure_string": "Ta8 Al2 C6\n1.0\n1.572538 -2.723715 -0.000000\n1.572538 2.723715 0.000000\n-0.000000 0.000000 24.260891\nTa Al C\n8 2 6\ndirect\n0.000000 0.000000 0.657626 Ta\n0.000000 0.000000 0.157626 Ta\n0.000000 0.000000 0.342374 Ta\n0.000000 0.000000 0.842374 Ta\n0.333333 0.666668 0.555244 Ta\n0.666668 0.333333 0.055244 Ta\n0.666668 0.333333 0.444756 Ta\n0.333333 0.666668 0.944756 Ta\n0.666668 0.333333 0.250000 Al\n0.333333 0.666668 0.750000 Al\n0.666668 0.333333 0.608154 C\n0.333333 0.666668 0.108154 C\n0.333333 0.666668 0.391846 C\n0.000000 0.000000 0.000000 C\n0.666668 0.333333 0.891846 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ta",
"Al",
"C"
],
"chemical_system": "Al-C-Ta",
"density": 12.573226467063229,
"density_atomic": 0.07698753755291274,
"volume": 207.8258443972619,
"volume_molar": 7.822228053288553,
"formula_full": "Ta8 Al2 C6",
"formula_reduced": "Ta4AlC3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 6.71574495,
"spacegroup": 194
},
{
"id": "jvasp-86426",
"created_at": "2022-09-04T14:35:56.941643Z",
"updated_at": "2022-09-04T14:35:56.941657Z",
"structure_string": "Ta8 Al2 C6\n1.0\n3.106445 -0.000000 0.000000\n-1.553222 2.690261 -0.000000\n0.000000 0.000000 24.745726\nTa Al C\n8 2 6\ndirect\n0.666668 0.333333 0.340478 Ta\n0.333334 0.666667 0.840478 Ta\n0.333334 0.666667 0.659523 Ta\n0.666668 0.333333 0.159523 Ta\n0.333334 0.666667 0.445201 Ta\n0.666668 0.333333 0.945202 Ta\n0.666668 0.333333 0.554799 Ta\n0.333334 0.666667 0.054799 Ta\n0.666668 0.333333 0.750000 Al\n0.333334 0.666667 0.250000 Al\n0.000000 0.000000 0.389517 C\n0.000000 0.000000 0.889517 C\n0.000000 0.000000 0.610483 C\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.110483 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ta",
"Al",
"C"
],
"chemical_system": "Al-C-Ta",
"density": 12.635371265933006,
"density_atomic": 0.07736805841995019,
"volume": 206.80369039575416,
"volume_molar": 7.783755832816822,
"formula_full": "Ta8 Al2 C6",
"formula_reduced": "Ta4AlC3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 6.7249287,
"spacegroup": 194
},
{
"id": "jvasp-121320",
"created_at": "2022-09-04T14:38:54.028518Z",
"updated_at": "2022-09-04T14:38:54.028553Z",
"structure_string": "Ta8 Al2 N6\n1.0\n2.970149 -0.000000 0.000000\n-1.485075 2.572225 0.000000\n-0.000000 -0.000000 25.873219\nTa Al N\n8 2 6\ndirect\n0.333334 0.666665 0.445018 Ta\n0.666667 0.333333 0.554982 Ta\n0.666667 0.333333 0.945018 Ta\n0.333334 0.666665 0.054982 Ta\n0.333334 0.666665 0.836516 Ta\n0.666667 0.333333 0.163484 Ta\n0.666667 0.333333 0.336516 Ta\n0.333334 0.666665 0.663484 Ta\n0.333334 0.666665 0.250000 Al\n0.666667 0.333333 0.750000 Al\n0.000000 0.000000 0.500000 N\n0.000000 0.000000 0.000000 N\n0.000000 0.000000 0.391583 N\n0.000000 0.000000 0.608417 N\n0.000000 0.000000 0.891583 N\n0.000000 0.000000 0.108417 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ta",
"Al",
"N"
],
"chemical_system": "Al-N-Ta",
"density": 13.319911239348501,
"density_atomic": 0.08094356471333264,
"volume": 197.66858621392734,
"volume_molar": 7.439925312565412,
"formula_full": "Ta8 Al2 N6",
"formula_reduced": "Ta4AlN3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 6.28676616875,
"spacegroup": 194
}
]
}