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=-id&page=424",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=422",
"results": [
{
"id": "jvasp-90504",
"created_at": "2022-09-04T14:35:46.765561Z",
"updated_at": "2022-09-04T14:35:46.765591Z",
"structure_string": "Fe4 B4\n1.0\n2.946144 0.000000 0.000000\n-0.000000 3.995904 0.000000\n0.000000 0.000000 5.421691\nFe B\n4 4\ndirect\n0.250000 0.380753 0.677903 Fe\n0.250000 0.119247 0.177903 Fe\n0.749999 0.619246 0.322097 Fe\n0.749999 0.880752 0.822097 Fe\n0.250000 0.882502 0.533960 B\n0.250000 0.617496 0.033960 B\n0.749999 0.382503 0.966040 B\n0.749999 0.117497 0.466040 B\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Fe",
"B"
],
"chemical_system": "B-Fe",
"density": 6.936566574481985,
"density_atomic": 0.12533899519046263,
"volume": 63.82690389246667,
"volume_molar": 4.804682493942827,
"formula_full": "Fe4 B4",
"formula_reduced": "FeB",
"formula_anonymous": "AB",
"energy_above_hull": 2.4588690416666665,
"spacegroup": 62
},
{
"id": "jvasp-90503",
"created_at": "2022-09-04T14:35:40.965297Z",
"updated_at": "2022-09-04T14:35:40.965320Z",
"structure_string": "Rb2 Ni1 F6\n1.0\n5.145491 -0.000000 2.970751\n1.715164 4.851216 2.970751\n-0.000000 0.000000 5.941502\nRb Ni F\n2 1 6\ndirect\n0.749999 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ni\n0.215650 0.784349 0.784349 F\n0.215650 0.784349 0.215651 F\n0.784348 0.215651 0.784348 F\n0.784348 0.215651 0.215651 F\n0.784348 0.784349 0.215651 F\n0.215651 0.215651 0.784349 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"Ni",
"F"
],
"chemical_system": "F-Ni-Rb",
"density": 3.8472739717938924,
"density_atomic": 0.060683249264948315,
"volume": 148.31110906248975,
"volume_molar": 9.923893056066943,
"formula_full": "Rb2 Ni1 F6",
"formula_reduced": "Rb2NiF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-90501",
"created_at": "2022-09-04T14:36:20.628630Z",
"updated_at": "2022-09-04T14:36:20.628654Z",
"structure_string": "Ba2 Ni1 F6\n1.0\n3.995426 -0.000000 -0.962052\n-0.231651 3.988704 -0.962052\n-0.047901 -0.050764 8.578642\nBa Ni F\n2 1 6\ndirect\n0.850822 0.850820 0.701640 Ba\n0.149180 0.149180 0.298360 Ba\n0.500001 0.499999 0.000000 Ni\n0.620576 0.620575 0.241152 F\n0.379425 0.379425 0.758848 F\n0.000000 0.499999 0.000000 F\n0.750001 0.250000 0.500000 F\n0.250001 0.750000 0.500000 F\n0.500000 0.000000 0.000000 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"F"
],
"chemical_system": "Ba-F-Ni",
"density": 5.44894899431399,
"density_atomic": 0.06601924272143744,
"volume": 136.32389026294547,
"volume_molar": 9.121796179047234,
"formula_full": "Ba2 Ni1 F6",
"formula_reduced": "Ba2NiF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.222222221903713e-06,
"spacegroup": 139
},
{
"id": "jvasp-90497",
"created_at": "2022-09-04T14:36:14.438299Z",
"updated_at": "2022-09-04T14:36:14.438315Z",
"structure_string": "Ti4 Se4\n1.0\n3.492616 0.000000 0.000000\n-0.000000 6.255603 0.000000\n0.000000 0.000000 6.468971\nTi Se\n4 4\ndirect\n0.250000 0.693518 0.506474 Ti\n0.250000 0.806482 0.006474 Ti\n0.750001 0.306482 0.493526 Ti\n0.750001 0.193518 0.993526 Ti\n0.750001 0.919141 0.283658 Se\n0.250000 0.080859 0.716342 Se\n0.250000 0.419141 0.216342 Se\n0.750001 0.580859 0.783658 Se\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ti",
"Se"
],
"chemical_system": "Se-Ti",
"density": 5.96026522464673,
"density_atomic": 0.05660238933690724,
"volume": 141.33678973130642,
"volume_molar": 10.639375529105623,
"formula_full": "Ti4 Se4",
"formula_reduced": "TiSe",
"formula_anonymous": "AB",
"energy_above_hull": 1.1590408499999998,
"spacegroup": 62
},
{
"id": "jvasp-90496",
"created_at": "2022-09-04T14:36:04.060427Z",
"updated_at": "2022-09-04T14:36:04.060446Z",
"structure_string": "Mn6 P3\n1.0\n6.085981 -0.000000 0.000000\n-3.042992 5.270615 -0.000000\n-0.000000 0.000000 3.273728\nMn P\n6 3\ndirect\n0.256502 0.256501 0.000000 Mn\n0.743498 0.000000 0.000000 Mn\n0.599205 0.599205 0.500000 Mn\n-0.000000 0.743498 0.000000 Mn\n0.400794 0.000000 0.500000 Mn\n-0.000000 0.400794 0.500000 Mn\n0.333333 0.666666 0.000004 P\n0.000000 0.000000 0.500000 P\n0.666667 0.333333 0.999997 P\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Mn",
"P"
],
"chemical_system": "Mn-P",
"density": 6.6817814793037495,
"density_atomic": 0.08570536931022224,
"volume": 105.01092373131578,
"volume_molar": 7.0265618227512014,
"formula_full": "Mn6 P3",
"formula_reduced": "Mn2P",
"formula_anonymous": "AB2",
"energy_above_hull": 3.245913327586207,
"spacegroup": 189
},
{
"id": "jvasp-90495",
"created_at": "2022-09-04T14:35:56.720360Z",
"updated_at": "2022-09-04T14:35:56.720387Z",
"structure_string": "Tb4 Si4\n1.0\n3.856337 -0.000000 0.000000\n-0.000000 5.727966 0.000000\n0.000000 0.000000 7.967884\nTb Si\n4 4\ndirect\n0.750001 0.614448 0.320782 Tb\n0.250000 0.114448 0.179218 Tb\n0.750001 0.885553 0.820782 Tb\n0.250000 0.385553 0.679217 Tb\n0.750001 0.369827 0.961636 Si\n0.750001 0.130173 0.461636 Si\n0.250000 0.869828 0.538363 Si\n0.250000 0.630173 0.038364 Si\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tb",
"Si"
],
"chemical_system": "Si-Tb",
"density": 7.057607134221078,
"density_atomic": 0.04545394409548675,
"volume": 176.00232849308105,
"volume_molar": 13.248884953413661,
"formula_full": "Tb4 Si4",
"formula_reduced": "TbSi",
"formula_anonymous": "AB",
"energy_above_hull": 1.1158184999999998,
"spacegroup": 62
},
{
"id": "jvasp-90492",
"created_at": "2022-09-04T14:35:49.738364Z",
"updated_at": "2022-09-04T14:35:49.738376Z",
"structure_string": "Co1 As2 O6\n1.0\n4.860005 -0.000000 -0.000026\n-2.430002 4.208915 0.000012\n-0.000026 0.000000 4.458865\nCo As O\n1 2 6\ndirect\n-0.000000 -0.000000 0.000000 Co\n0.333332 0.666664 0.500000 As\n0.666668 0.333335 0.500000 As\n0.359037 0.000000 0.270495 O\n0.359044 0.359041 0.729506 O\n0.000002 0.640958 0.729506 O\n0.640956 0.640958 0.270494 O\n0.640963 -0.000000 0.729506 O\n-0.000003 0.359041 0.270495 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Co",
"As",
"O"
],
"chemical_system": "As-Co-O",
"density": 5.5487364898635025,
"density_atomic": 0.09867594965058657,
"volume": 91.2076350100422,
"volume_molar": 6.102946849079757,
"formula_full": "Co1 As2 O6",
"formula_reduced": "Co(AsO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.8144628222222225,
"spacegroup": 162
},
{
"id": "jvasp-90491",
"created_at": "2022-09-04T14:35:42.328246Z",
"updated_at": "2022-09-04T14:35:42.328263Z",
"structure_string": "V2 Co1 O6\n1.0\n3.456419 -0.001380 0.000200\n-1.726531 4.425662 -1.526850\n-0.000625 -0.186532 6.669566\nV Co O\n2 1 6\ndirect\n0.790125 0.605374 0.336435 V\n0.184757 0.394622 0.663565 V\n0.987446 0.000000 0.000000 Co\n0.675005 0.375115 0.560355 O\n0.029035 0.083170 0.740345 O\n0.945854 0.916832 0.259655 O\n0.299885 0.624884 0.439646 O\n0.340930 0.706925 0.891988 O\n0.633959 0.293077 0.108014 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"V",
"Co",
"O"
],
"chemical_system": "Co-O-V",
"density": 4.221259245795265,
"density_atomic": 0.08908798119606998,
"volume": 101.02372821977276,
"volume_molar": 6.759767904882843,
"formula_full": "V2 Co1 O6",
"formula_reduced": "V2CoO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.2456611444444445,
"spacegroup": 12
},
{
"id": "jvasp-90489",
"created_at": "2022-09-04T14:36:20.578309Z",
"updated_at": "2022-09-04T14:36:20.578334Z",
"structure_string": "Fe1 H4 Cl2 O2\n1.0\n3.516069 0.045247 -0.326612\n-0.609412 5.500851 -0.784600\n0.053935 -0.036324 5.589463\nFe H Cl O\n1 4 2 2\ndirect\n-0.000000 -0.000002 0.000002 Fe\n0.836351 0.224077 0.602153 H\n0.163649 0.397846 0.775924 H\n0.836353 0.602155 0.224078 H\n0.163647 0.775922 0.397846 H\n0.556326 0.244142 0.244142 Cl\n0.443672 0.755858 0.755858 Cl\n1.000000 0.757616 0.242384 O\n-0.000001 0.242388 0.757612 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Fe",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-Fe-H-O",
"density": 2.4970554230181383,
"density_atomic": 0.08314121896435892,
"volume": 108.24955554065345,
"volume_molar": 7.243267340813921,
"formula_full": "Fe1 H4 Cl2 O2",
"formula_reduced": "FeH4(ClO)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 2.362472292777778,
"spacegroup": 12
},
{
"id": "jvasp-90487",
"created_at": "2022-09-04T14:36:13.892646Z",
"updated_at": "2022-09-04T14:36:13.892664Z",
"structure_string": "P3 N3 O3\n1.0\n4.728522 0.000000 -0.000000\n-2.364261 4.095021 -0.000000\n0.000000 0.000000 5.256526\nP N O\n3 3 3\ndirect\n0.986349 0.457233 0.327858 P\n0.542767 0.529116 0.994526 P\n0.470884 0.013651 0.661192 P\n0.387045 0.268829 0.777169 N\n0.881784 0.612955 0.110502 N\n0.731170 0.118215 0.443836 N\n0.137635 0.712704 0.561640 O\n0.287296 0.424931 0.228307 O\n0.575069 0.862365 0.894974 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"P",
"N",
"O"
],
"chemical_system": "N-O-P",
"density": 2.98453327513247,
"density_atomic": 0.08842236880740754,
"volume": 101.78419919514788,
"volume_molar": 6.810653052189548,
"formula_full": "P3 N3 O3",
"formula_reduced": "PNO",
"formula_anonymous": "ABC",
"energy_above_hull": 2.73589075,
"spacegroup": 145
},
{
"id": "jvasp-90485",
"created_at": "2022-09-04T14:36:07.765559Z",
"updated_at": "2022-09-04T14:36:07.765572Z",
"structure_string": "Li2 Sb2 Se4\n1.0\n6.574117 0.000000 4.648603\n3.258240 4.025807 9.337957\n-0.028817 0.000000 7.013657\nLi Sb Se\n2 2 4\ndirect\n0.250000 0.500000 -0.000000 Li\n0.500000 -0.000000 -0.000000 Li\n0.000000 0.000000 0.000000 Sb\n0.750000 0.500000 -0.000001 Sb\n0.001418 0.500000 0.497164 Se\n0.498582 0.500000 0.502836 Se\n0.251418 -0.000000 0.497164 Se\n0.748582 -0.000000 0.502836 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Sb",
"Se"
],
"chemical_system": "Li-Sb-Se",
"density": 5.113194061336694,
"density_atomic": 0.042972949478519484,
"volume": 186.1636237931234,
"volume_molar": 14.013794335923428,
"formula_full": "Li2 Sb2 Se4",
"formula_reduced": "LiSbSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1009582083333336,
"spacegroup": 141
},
{
"id": "jvasp-90484",
"created_at": "2022-09-04T14:36:05.261357Z",
"updated_at": "2022-09-04T14:36:05.261381Z",
"structure_string": "Sr2 Co2 O5\n1.0\n7.192986 -0.000000 -0.000000\n3.596493 4.524583 -0.000000\n3.596493 -0.000000 4.524583\nSr Co O\n2 2 5\ndirect\n0.303395 0.500000 0.500000 Sr\n0.696605 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n-0.000000 0.000000 0.500000 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sr",
"Co",
"O"
],
"chemical_system": "Co-O-Sr",
"density": 4.207382135866414,
"density_atomic": 0.0611189909473826,
"volume": 147.25373996681503,
"volume_molar": 9.85314166129553,
"formula_full": "Sr2 Co2 O5",
"formula_reduced": "Sr2Co2O5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 2.2741679911111112,
"spacegroup": 139
}
]
}