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=created_at&page=4389",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=4387",
"results": [
{
"id": "jvasp-113569",
"created_at": "2022-09-04T14:38:48.004048Z",
"updated_at": "2022-09-04T14:38:48.004079Z",
"structure_string": "Ca1 Zr1 S2\n1.0\n4.980556 0.000000 -0.000000\n0.000000 4.980556 0.000000\n0.000000 -0.000000 3.549597\nCa Zr S\n1 1 2\ndirect\n0.500001 0.500001 0.500000 Ca\n0.000000 0.000000 0.000000 Zr\n0.500001 0.000000 0.000000 S\n0.000000 0.500001 0.000000 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Zr",
"S"
],
"chemical_system": "Ca-S-Zr",
"density": 3.6856158778307537,
"density_atomic": 0.045428174733427445,
"volume": 88.05108335239093,
"volume_molar": 13.25640045046477,
"formula_full": "Ca1 Zr1 S2",
"formula_reduced": "CaZrS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.49755123,
"spacegroup": 123
},
{
"id": "jvasp-105144",
"created_at": "2022-09-04T14:38:48.004291Z",
"updated_at": "2022-09-04T14:38:48.004322Z",
"structure_string": "Co6 Ru2\n1.0\n5.078152 0.000000 0.000000\n-2.539076 4.397808 0.000000\n-0.000000 -0.000000 4.048435\nCo Ru\n6 2\ndirect\n0.163458 0.326916 0.250000 Co\n0.673084 0.836542 0.250000 Co\n0.163457 0.836542 0.250000 Co\n0.836541 0.673084 0.750001 Co\n0.326916 0.163458 0.750001 Co\n0.836542 0.163458 0.750001 Co\n0.333333 0.666667 0.750001 Ru\n0.666666 0.333333 0.250000 Ru\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Co",
"Ru"
],
"chemical_system": "Co-Ru",
"density": 10.206832168537893,
"density_atomic": 0.08848320704674882,
"volume": 90.41263610363168,
"volume_molar": 6.805970263734101,
"formula_full": "Co6 Ru2",
"formula_reduced": "Co3Ru",
"formula_anonymous": "AB3",
"energy_above_hull": 3.6051708,
"spacegroup": 194
},
{
"id": "jvasp-113570",
"created_at": "2022-09-04T14:38:48.006218Z",
"updated_at": "2022-09-04T14:38:48.006234Z",
"structure_string": "Ca1 Zr1 S1\n1.0\n4.890955 0.000000 -0.000000\n-2.445477 4.235691 0.000000\n0.000000 0.000000 3.267346\nCa Zr S\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666666 0.333333 0.000000 Zr\n0.333333 0.666667 0.000000 S\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Zr",
"S"
],
"chemical_system": "Ca-S-Zr",
"density": 4.007747640272027,
"density_atomic": 0.04432086118117479,
"volume": 67.68821543734455,
"volume_molar": 13.587598705229796,
"formula_full": "Ca1 Zr1 S1",
"formula_reduced": "CaZrS",
"formula_anonymous": "ABC",
"energy_above_hull": 1.6985783066666666,
"spacegroup": 187
},
{
"id": "jvasp-117005",
"created_at": "2022-09-04T14:38:48.006232Z",
"updated_at": "2022-09-04T14:38:48.006257Z",
"structure_string": "Sr3 La1 Co2 O8\n1.0\n6.793059 0.009294 0.000000\n-4.677946 4.925704 0.000000\n-0.000000 -0.000000 5.366777\nSr La Co O\n3 1 2 8\ndirect\n0.643213 0.356785 -0.000000 Sr\n0.359490 0.640509 -0.000000 Sr\n0.856518 0.143480 0.500000 Sr\n0.140232 0.859766 0.500000 La\n0.497486 0.502513 0.500000 Co\n0.997279 0.002719 -0.000000 Co\n0.841886 0.158112 -0.000000 O\n0.333999 0.665999 0.500000 O\n0.658266 0.341732 0.500000 O\n0.160254 0.839744 -0.000000 O\n0.755993 0.750310 0.746361 O\n0.249689 0.244005 0.253639 O\n0.249689 0.244005 0.746361 O\n0.755993 0.750310 0.253639 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sr",
"La",
"Co",
"O"
],
"chemical_system": "Co-La-O-Sr",
"density": 5.98084993586607,
"density_atomic": 0.07786044064764228,
"volume": 179.80889760638595,
"volume_molar": 7.734532080614881,
"formula_full": "Sr3 La1 Co2 O8",
"formula_reduced": "Sr3La(CoO4)2",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.119089552142857,
"spacegroup": 38
},
{
"id": "jvasp-113514",
"created_at": "2022-09-04T14:38:48.006762Z",
"updated_at": "2022-09-04T14:38:48.006787Z",
"structure_string": "Na1 Be1 Ge1\n1.0\n4.569082 -0.000000 -0.000000\n-2.284541 3.956941 0.000000\n0.000000 0.000000 3.137847\nNa Be Ge\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Na\n0.000000 0.000000 0.000000 Be\n0.333332 0.666665 0.000000 Ge\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Na",
"Be",
"Ge"
],
"chemical_system": "Be-Ge-Na",
"density": 3.062912823337567,
"density_atomic": 0.05288115886170659,
"volume": 56.73098064748393,
"volume_molar": 11.388065030399472,
"formula_full": "Na1 Be1 Ge1",
"formula_reduced": "NaBeGe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7330136833333333,
"spacegroup": 187
},
{
"id": "jvasp-113572",
"created_at": "2022-09-04T14:38:48.012148Z",
"updated_at": "2022-09-04T14:38:48.012163Z",
"structure_string": "Ca1 Zr1 S1\n1.0\n3.405465 -0.000000 -0.000000\n0.000000 3.405465 -0.000000\n-0.000000 -0.000000 8.185396\nCa Zr S\n1 1 1\ndirect\n0.000000 0.000000 -0.065667 Ca\n0.000000 0.000000 0.526022 Zr\n0.000000 0.000000 0.248168 S\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Zr",
"S"
],
"chemical_system": "Ca-S-Zr",
"density": 2.8577280272539567,
"density_atomic": 0.031603029571212776,
"volume": 94.92760791303066,
"volume_molar": 19.05558056207868,
"formula_full": "Ca1 Zr1 S1",
"formula_reduced": "CaZrS",
"formula_anonymous": "ABC",
"energy_above_hull": 1.72548164,
"spacegroup": 99
},
{
"id": "jvasp-110876",
"created_at": "2022-09-04T14:38:48.015448Z",
"updated_at": "2022-09-04T14:38:48.015482Z",
"structure_string": "Tl3 Zn1\n1.0\n4.341453 -0.090395 -3.967177\n-0.903764 4.247304 -3.967177\n0.074755 0.090395 5.880571\nTl Zn\n3 1\ndirect\n0.750000 0.249999 0.499999 Tl\n0.250001 0.750000 0.500000 Tl\n0.500000 0.499999 -0.000001 Tl\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tl",
"Zn"
],
"chemical_system": "Tl-Zn",
"density": 10.140003275361869,
"density_atomic": 0.03599659634687147,
"volume": 111.12161720666815,
"volume_molar": 16.72975050743484,
"formula_full": "Tl3 Zn1",
"formula_reduced": "Tl3Zn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-114035",
"created_at": "2022-09-04T14:38:48.017856Z",
"updated_at": "2022-09-04T14:38:48.017906Z",
"structure_string": "Ba1 Cd1 Se1\n1.0\n4.667050 0.000000 0.000000\n0.000000 4.667050 0.000000\n0.000000 -0.000000 8.886235\nBa Cd Se\n1 1 1\ndirect\n0.000000 0.000000 0.310333 Ba\n0.000000 0.000000 0.706312 Cd\n0.000000 0.000000 -0.005911 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Se"
],
"chemical_system": "Ba-Cd-Se",
"density": 2.8199633080156254,
"density_atomic": 0.015499530862470131,
"volume": 193.55424539100505,
"volume_molar": 38.8536970146738,
"formula_full": "Ba1 Cd1 Se1",
"formula_reduced": "BaCdSe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.374351556111111,
"spacegroup": 99
},
{
"id": "jvasp-107245",
"created_at": "2022-09-04T14:38:48.018353Z",
"updated_at": "2022-09-04T14:38:48.018388Z",
"structure_string": "Tm3 Ga5 Ni1\n1.0\n6.812287 0.000000 0.000000\n-3.406144 5.899614 0.000000\n-0.000000 -0.000000 4.160056\nTm Ga Ni\n3 5 1\ndirect\n0.595734 -0.000000 -0.000000 Tm\n0.000000 0.595733 -0.000000 Tm\n0.404267 0.404266 -0.000000 Tm\n0.236831 -0.000000 0.500000 Ga\n0.000000 0.236830 0.500000 Ga\n0.763170 0.763169 0.500000 Ga\n0.333334 0.666666 0.500000 Ga\n0.666667 0.333333 0.500000 Ga\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Tm",
"Ga",
"Ni"
],
"chemical_system": "Ga-Ni-Tm",
"density": 9.078881257166715,
"density_atomic": 0.053830299808974184,
"volume": 167.19208386239728,
"volume_molar": 11.187269588634233,
"formula_full": "Tm3 Ga5 Ni1",
"formula_reduced": "Tm3Ga5Ni",
"formula_anonymous": "AB3C5",
"energy_above_hull": 0.303322975,
"spacegroup": 189
},
{
"id": "jvasp-120337",
"created_at": "2022-09-04T14:38:48.019155Z",
"updated_at": "2022-09-04T14:38:48.019181Z",
"structure_string": "Mg2 Se1\n1.0\n3.857064 0.000000 0.000000\n0.000000 4.163190 0.000000\n0.000000 0.000000 6.312979\nMg Se\n2 1\ndirect\n-0.033325 0.000000 0.723997 Mg\n-0.033325 0.000000 0.276002 Mg\n0.466650 0.000000 0.000000 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Se"
],
"chemical_system": "Mg-Se",
"density": 2.089682142697666,
"density_atomic": 0.029594011157794083,
"volume": 101.37186148927633,
"volume_molar": 20.34918729972151,
"formula_full": "Mg2 Se1",
"formula_reduced": "Mg2Se",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1753000000000001,
"spacegroup": 47
},
{
"id": "jvasp-117122",
"created_at": "2022-09-04T14:38:48.022846Z",
"updated_at": "2022-09-04T14:38:48.022870Z",
"structure_string": "Si4 W2 O12\n1.0\n6.365150 0.281966 1.595605\n0.286967 6.364926 1.595605\n-0.028356 -0.028333 5.140802\nSi W O\n4 2 12\ndirect\n0.784097 0.590532 0.775901 Si\n0.409469 0.215904 0.724096 Si\n0.590531 0.784098 0.275901 Si\n0.215903 0.409469 0.224096 Si\n0.930031 0.069969 0.749999 W\n0.069969 0.930032 0.249999 W\n0.042741 0.226832 0.334846 O\n0.773169 0.957260 0.165151 O\n0.353625 0.894654 0.325294 O\n0.105347 0.646376 0.174704 O\n0.646375 0.105348 0.674704 O\n0.354538 0.374251 0.453813 O\n0.625750 0.645462 0.046185 O\n0.957259 0.773170 0.665151 O\n0.374250 0.354539 0.953813 O\n0.645462 0.625751 0.546185 O\n0.894653 0.353626 0.825293 O\n0.226831 0.042742 0.834846 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Si",
"W",
"O"
],
"chemical_system": "O-Si-W",
"density": 5.354459576119583,
"density_atomic": 0.08636946193756094,
"volume": 208.40699474326627,
"volume_molar": 6.972534765069608,
"formula_full": "Si4 W2 O12",
"formula_reduced": "Si2WO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.4873698,
"spacegroup": 15
},
{
"id": "jvasp-109291",
"created_at": "2022-09-04T14:38:48.029445Z",
"updated_at": "2022-09-04T14:38:48.029467Z",
"structure_string": "Mg2 Hg4\n1.0\n4.266825 -0.182371 3.103375\n1.282019 4.073755 3.103375\n0.071212 0.049941 7.860563\nMg Hg\n2 4\ndirect\n0.885757 0.114241 0.750001 Mg\n0.114242 0.885757 0.250001 Mg\n0.218038 0.424056 0.769761 Hg\n0.781961 0.575943 0.230241 Hg\n0.424056 0.218038 0.269761 Hg\n0.575943 0.781961 0.730241 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 10.309335077364546,
"density_atomic": 0.043774234343878005,
"volume": 137.06693195055558,
"volume_molar": 13.75727262912645,
"formula_full": "Mg2 Hg4",
"formula_reduced": "MgHg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2981525,
"spacegroup": 15
}
]
}