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=451",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=449",
"results": [
{
"id": "jvasp-66056",
"created_at": "2022-09-04T14:35:47.950383Z",
"updated_at": "2022-09-04T14:35:47.950419Z",
"structure_string": "Ba1 Ta1 Br1\n1.0\n0.000000 4.015095 4.015095\n4.015095 0.000000 4.015095\n4.015095 4.015095 -0.000000\nBa Ta Br\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.500001 0.500001 0.500001 Ta\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"Br"
],
"chemical_system": "Ba-Br-Ta",
"density": 5.107517297500496,
"density_atomic": 0.02317414834532069,
"volume": 129.45459549566394,
"volume_molar": 25.98645987012501,
"formula_full": "Ba1 Ta1 Br1",
"formula_reduced": "BaTaBr",
"formula_anonymous": "ABC",
"energy_above_hull": 2.228353091666666,
"spacegroup": 216
},
{
"id": "jvasp-66329",
"created_at": "2022-09-04T14:35:48.880731Z",
"updated_at": "2022-09-04T14:35:48.880750Z",
"structure_string": "Ba1 Ta1 Cl1\n1.0\n-0.000000 3.953138 3.953138\n3.953138 -0.000000 3.953138\n3.953138 3.953138 0.000000\nBa Ta Cl\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"Cl"
],
"chemical_system": "Ba-Cl-Ta",
"density": 4.754036008534247,
"density_atomic": 0.024280930893597247,
"volume": 123.55374730674285,
"volume_molar": 24.801935256889212,
"formula_full": "Ba1 Ta1 Cl1",
"formula_reduced": "BaTaCl",
"formula_anonymous": "ABC",
"energy_above_hull": 2.260853079166666,
"spacegroup": 216
},
{
"id": "jvasp-8410",
"created_at": "2022-09-04T14:37:05.831016Z",
"updated_at": "2022-09-04T14:37:05.831026Z",
"structure_string": "Ba1 Ta1 Cu1 O5\n1.0\n3.811819 0.000000 0.000000\n0.000000 3.811819 0.000000\n0.000000 -0.000000 8.608139\nBa Ta Cu O\n1 1 1 5\ndirect\n0.000000 0.000000 0.974581 Ba\n0.500000 0.500000 0.301603 Ta\n0.500000 0.500000 0.713319 Cu\n0.500000 0.000000 0.345461 O\n0.000000 0.500000 0.345461 O\n0.500000 0.000000 0.755456 O\n0.000000 0.500000 0.755456 O\n0.500000 0.500000 0.084812 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ba",
"Ta",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-O-Ta",
"density": 6.131207702815938,
"density_atomic": 0.06396113693634144,
"volume": 125.07595054106301,
"volume_molar": 9.415312248113496,
"formula_full": "Ba1 Ta1 Cu1 O5",
"formula_reduced": "BaTaCuO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.3669166399999995,
"spacegroup": 99
},
{
"id": "jvasp-66034",
"created_at": "2022-09-04T14:35:45.690484Z",
"updated_at": "2022-09-04T14:35:45.690510Z",
"structure_string": "Ba1 Ta1 Hg1\n1.0\n-0.000000 3.835575 3.835575\n3.835575 0.000000 3.835575\n3.835575 3.835575 0.000000\nBa Ta Hg\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.500001 0.500001 0.500001 Ta\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"Hg"
],
"chemical_system": "Ba-Hg-Ta",
"density": 7.6345235650064,
"density_atomic": 0.02658274475614572,
"volume": 112.85516328431147,
"volume_molar": 22.654322626363587,
"formula_full": "Ba1 Ta1 Hg1",
"formula_reduced": "BaTaHg",
"formula_anonymous": "ABC",
"energy_above_hull": 1.97362659,
"spacegroup": 216
},
{
"id": "jvasp-65490",
"created_at": "2022-09-04T14:35:57.000773Z",
"updated_at": "2022-09-04T14:35:57.000800Z",
"structure_string": "Ba1 Ta1 Mn2\n1.0\n3.354290 0.000000 0.000000\n0.000000 3.354290 0.000000\n-0.000000 0.000000 7.482349\nBa Ta Mn\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Ta\n0.000000 0.000000 0.857390 Mn\n0.000000 0.000000 0.142610 Mn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"Mn"
],
"chemical_system": "Ba-Mn-Ta",
"density": 8.445140002750025,
"density_atomic": 0.04751391487170313,
"volume": 84.18586451570624,
"volume_molar": 12.674478152896805,
"formula_full": "Ba1 Ta1 Mn2",
"formula_reduced": "BaTaMn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.8781599131896543,
"spacegroup": 123
},
{
"id": "jvasp-49889",
"created_at": "2022-09-04T14:37:11.889621Z",
"updated_at": "2022-09-04T14:37:11.889640Z",
"structure_string": "Ba1 Ta1 O3\n1.0\n4.123282 -0.000000 -0.000000\n0.000000 4.123282 -0.000000\n0.000000 0.000000 4.123282\nBa Ta O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ta\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"O"
],
"chemical_system": "Ba-O-Ta",
"density": 8.676108680257018,
"density_atomic": 0.07132485376706044,
"volume": 70.10179111378876,
"volume_molar": 8.443257072307063,
"formula_full": "Ba1 Ta1 O3",
"formula_reduced": "BaTaO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.293493134,
"spacegroup": 221
},
{
"id": "jvasp-65491",
"created_at": "2022-09-04T14:35:58.304819Z",
"updated_at": "2022-09-04T14:35:58.304845Z",
"structure_string": "Ba1 Ta1 Pt2\n1.0\n3.358654 0.000000 0.000000\n0.000000 3.358654 0.000000\n-0.000000 0.000000 7.873246\nBa Ta Pt\n1 1 2\ndirect\n0.499999 0.499999 0.000000 Ba\n0.499999 0.499999 0.500000 Ta\n0.000000 0.000000 0.322748 Pt\n0.000000 0.000000 0.677253 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"Pt"
],
"chemical_system": "Ba-Pt-Ta",
"density": 13.245537413461046,
"density_atomic": 0.04503764129764382,
"volume": 88.81459785082623,
"volume_molar": 13.371350245011726,
"formula_full": "Ba1 Ta1 Pt2",
"formula_reduced": "BaTaPt2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.7897019924999995,
"spacegroup": 123
},
{
"id": "jvasp-20951",
"created_at": "2022-09-04T14:38:35.245893Z",
"updated_at": "2022-09-04T14:38:35.245920Z",
"structure_string": "Ba2 Ta2 S6\n1.0\n3.454258 -5.982951 -0.000000\n3.454258 5.982951 -0.000000\n0.000000 0.000000 5.711403\nBa Ta S\n2 2 6\ndirect\n0.333333 0.666667 0.250000 Ba\n0.666667 0.333333 0.750000 Ba\n0.000000 0.000000 0.000000 Ta\n0.000000 0.000000 0.500000 Ta\n0.171005 0.342010 0.750000 S\n0.342010 0.171005 0.250000 S\n0.657991 0.828996 0.750000 S\n0.828995 0.171005 0.250000 S\n0.828996 0.657991 0.250000 S\n0.171005 0.828995 0.750000 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"S"
],
"chemical_system": "Ba-S-Ta",
"density": 5.830812140973391,
"density_atomic": 0.04236010041331998,
"volume": 236.07120621592145,
"volume_molar": 14.21654033215266,
"formula_full": "Ba2 Ta2 S6",
"formula_reduced": "BaTaS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.260023034,
"spacegroup": 194
},
{
"id": "jvasp-113508",
"created_at": "2022-09-04T14:38:49.635294Z",
"updated_at": "2022-09-04T14:38:49.635321Z",
"structure_string": "Ba1 Ta1 S3\n1.0\n4.877421 -0.000000 0.000000\n0.000000 4.877421 0.000000\n0.000000 -0.000000 4.877421\nBa Ta S\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ta\n0.000000 0.500000 0.500000 S\n0.500000 0.000000 0.500000 S\n0.500000 0.500000 0.000000 S\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"S"
],
"chemical_system": "Ba-S-Ta",
"density": 5.931592964154922,
"density_atomic": 0.04309226013421163,
"volume": 116.03011734421469,
"volume_molar": 13.974993980923562,
"formula_full": "Ba1 Ta1 S3",
"formula_reduced": "BaTaS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.2695030340000004,
"spacegroup": 221
},
{
"id": "jvasp-66064",
"created_at": "2022-09-04T14:35:58.389905Z",
"updated_at": "2022-09-04T14:35:58.389932Z",
"structure_string": "Ba1 Ta1 Te1\n1.0\n0.000000 3.949644 3.949644\n3.949644 0.000000 3.949644\n3.949644 3.949644 -0.000000\nBa Ta Te\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Te\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"Te"
],
"chemical_system": "Ba-Ta-Te",
"density": 6.008391874270018,
"density_atomic": 0.02434542732297353,
"volume": 123.22642606355298,
"volume_molar": 24.736229436881622,
"formula_full": "Ba1 Ta1 Te1",
"formula_reduced": "BaTaTe",
"formula_anonymous": "ABC",
"energy_above_hull": 2.5617743122222216,
"spacegroup": 216
},
{
"id": "jvasp-57317",
"created_at": "2022-09-04T14:38:12.783811Z",
"updated_at": "2022-09-04T14:38:12.783837Z",
"structure_string": "Ba2 Tb4 Mn4 O14\n1.0\n5.516159 0.002468 0.000015\n0.003124 5.601981 -0.000163\n0.001696 2.800567 9.906744\nTb Ba Mn O\n4 2 4 14\ndirect\n0.734436 0.541741 0.365659 Tb\n0.265565 0.458259 0.634341 Tb\n0.265574 0.092600 0.365659 Tb\n0.734426 0.907401 0.634341 Tb\n0.747020 0.742450 0.000003 Ba\n0.252980 0.257550 -0.000003 Ba\n0.753613 0.349200 0.793458 Mn\n0.246384 0.857349 0.793459 Mn\n0.246388 0.650801 0.206543 Mn\n0.753616 0.142652 0.206542 Mn\n0.000000 0.393512 0.212968 O\n-0.000000 0.606488 0.787032 O\n0.726978 0.530367 0.580492 O\n0.759587 0.222846 -0.000004 O\n0.273023 0.469634 0.419509 O\n0.500003 0.399186 0.201625 O\n0.499998 0.600815 0.798376 O\n0.000000 0.875672 0.248649 O\n0.273026 0.889139 0.580489 O\n0.726974 0.110861 0.419512 O\n0.240413 0.777153 0.000005 O\n0.500005 0.882370 0.235251 O\n-0.000000 0.124328 0.751351 O\n0.499996 0.117630 0.764750 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Tb",
"Ba",
"Mn",
"O"
],
"chemical_system": "Ba-Mn-O-Tb",
"density": 7.3449147704542295,
"density_atomic": 0.07839681693005228,
"volume": 306.13487817258493,
"volume_molar": 7.681613866253159,
"formula_full": "Ba2 Tb4 Mn4 O14",
"formula_reduced": "BaTb2Mn2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.602708479396552,
"spacegroup": 12
},
{
"id": "jvasp-7890",
"created_at": "2022-09-04T14:36:31.828590Z",
"updated_at": "2022-09-04T14:36:31.828622Z",
"structure_string": "Ba1 Tb2 Ni1 O5\n1.0\n3.568672 0.000000 -1.054968\n-0.746499 5.178840 -2.525203\n0.050119 0.031343 6.732946\nTb Ba Ni O\n2 1 1 5\ndirect\n0.201629 0.701629 0.403258 Tb\n0.798370 0.298371 0.596742 Tb\n0.000000 0.000000 0.000000 Ba\n0.500001 0.500001 0.000001 Ni\n-0.000000 0.500001 0.000000 O\n0.350431 0.591889 0.700864 O\n0.649567 0.408111 0.299137 O\n0.649569 0.891026 0.299137 O\n0.350432 0.108974 0.700864 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Tb",
"Ba",
"Ni",
"O"
],
"chemical_system": "Ba-Ni-O-Tb",
"density": 7.888091405550253,
"density_atomic": 0.07199052636359381,
"volume": 125.0164494498178,
"volume_molar": 8.365185065580302,
"formula_full": "Ba1 Tb2 Ni1 O5",
"formula_reduced": "BaTb2NiO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.7418969633333337,
"spacegroup": 71
}
]
}