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=921",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=919",
"results": [
{
"id": "jvasp-116149",
"created_at": "2022-09-04T14:38:47.186772Z",
"updated_at": "2022-09-04T14:38:47.186797Z",
"structure_string": "Li1 Te1 H1\n1.0\n3.169536 -0.000000 0.000000\n-0.000000 3.169536 -0.000000\n-0.000000 0.000000 6.683878\nLi Te H\n1 1 1\ndirect\n0.000000 0.000000 0.280609 Li\n0.000000 0.000000 0.691413 Te\n0.000000 0.000000 0.021750 H\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Te",
"H"
],
"chemical_system": "H-Li-Te",
"density": 3.352164567041593,
"density_atomic": 0.04467878586225432,
"volume": 67.14596070826691,
"volume_molar": 13.478747561687088,
"formula_full": "Li1 Te1 H1",
"formula_reduced": "LiTeH",
"formula_anonymous": "ABC",
"energy_above_hull": 1.3260125888888892,
"spacegroup": 99
},
{
"id": "jvasp-11615",
"created_at": "2022-09-04T14:37:20.228256Z",
"updated_at": "2022-09-04T14:37:20.228284Z",
"structure_string": "Y2 Cr2 O8\n1.0\n5.712406 0.002288 -1.659264\n-3.220113 4.718311 -1.659264\n-0.001208 -0.002288 5.948508\nY Cr O\n2 2 8\ndirect\n0.125000 0.875000 0.250001 Y\n0.875000 0.125000 0.750001 Y\n0.375000 0.625000 0.750001 Cr\n0.625001 0.375000 0.250001 Cr\n0.799313 0.733037 0.433726 O\n0.365589 0.799312 0.566276 O\n0.733038 0.799312 0.933726 O\n0.799313 0.365589 0.066276 O\n0.634412 0.200688 0.433726 O\n0.200688 0.266963 0.566276 O\n0.200688 0.634411 0.933725 O\n0.266963 0.200688 0.066276 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Y",
"Cr",
"O"
],
"chemical_system": "Cr-O-Y",
"density": 4.244291128275635,
"density_atomic": 0.07484560686364021,
"volume": 160.33005145996842,
"volume_molar": 8.046084482916445,
"formula_full": "Y2 Cr2 O8",
"formula_reduced": "YCrO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.7325378083333334,
"spacegroup": 141
},
{
"id": "jvasp-116150",
"created_at": "2022-09-04T14:38:41.508622Z",
"updated_at": "2022-09-04T14:38:41.508647Z",
"structure_string": "Li1 Te1 H1\n1.0\n0.000000 3.030511 3.030511\n3.030511 -0.000000 3.030511\n3.030511 3.030511 0.000000\nLi Te H\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.500000 H\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Te",
"H"
],
"chemical_system": "H-Li-Te",
"density": 4.043594836858106,
"density_atomic": 0.05389440291982506,
"volume": 55.664407386846655,
"volume_molar": 11.173963220185811,
"formula_full": "Li1 Te1 H1",
"formula_reduced": "LiTeH",
"formula_anonymous": "ABC",
"energy_above_hull": 1.330732588888889,
"spacegroup": 216
},
{
"id": "jvasp-116151",
"created_at": "2022-09-04T14:38:47.856570Z",
"updated_at": "2022-09-04T14:38:47.856587Z",
"structure_string": "Mg1 H1 N1\n1.0\n3.398590 -0.000000 -0.000000\n-1.699295 2.943265 0.000000\n0.000000 -0.000000 4.010126\nMg H N\n1 1 1\ndirect\n0.333332 0.666665 0.000000 Mg\n0.000000 0.000000 0.000000 H\n0.666666 0.333333 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"H",
"N"
],
"chemical_system": "H-Mg-N",
"density": 1.6276929054842662,
"density_atomic": 0.07478854685038105,
"volume": 40.113093867189036,
"volume_molar": 8.05222325291017,
"formula_full": "Mg1 H1 N1",
"formula_reduced": "MgHN",
"formula_anonymous": "ABC",
"energy_above_hull": 2.2039740999999995,
"spacegroup": 187
},
{
"id": "jvasp-116153",
"created_at": "2022-09-04T14:38:30.453026Z",
"updated_at": "2022-09-04T14:38:30.453057Z",
"structure_string": "Mg1 H1 N1\n1.0\n-0.000000 2.358827 2.358827\n2.358827 0.000000 2.358827\n2.358827 2.358827 0.000000\nMg H N\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Mg\n0.250000 0.250000 0.250000 H\n0.000000 0.000000 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"H",
"N"
],
"chemical_system": "H-Mg-N",
"density": 2.4873698395392694,
"density_atomic": 0.11428861989372702,
"volume": 26.249332635126706,
"volume_molar": 5.269239199493159,
"formula_full": "Mg1 H1 N1",
"formula_reduced": "MgHN",
"formula_anonymous": "ABC",
"energy_above_hull": 2.0708974333333328,
"spacegroup": 216
},
{
"id": "jvasp-116155",
"created_at": "2022-09-04T14:38:49.463104Z",
"updated_at": "2022-09-04T14:38:49.463131Z",
"structure_string": "Mg1 H1 N1\n1.0\n-1.562118 1.562118 2.601193\n1.562118 -1.562118 2.601193\n1.562118 1.562118 -2.601193\nMg H N\n1 1 1\ndirect\n0.953405 0.953405 0.000000 Mg\n0.349738 0.349738 0.000000 H\n0.546853 0.546853 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"H",
"N"
],
"chemical_system": "H-Mg-N",
"density": 2.571570227044998,
"density_atomic": 0.11815742377225648,
"volume": 25.389856212355944,
"volume_molar": 5.096709599565599,
"formula_full": "Mg1 H1 N1",
"formula_reduced": "MgHN",
"formula_anonymous": "ABC",
"energy_above_hull": 1.8391774333333328,
"spacegroup": 107
},
{
"id": "jvasp-116157",
"created_at": "2022-09-04T14:38:40.656397Z",
"updated_at": "2022-09-04T14:38:40.656423Z",
"structure_string": "Hf1 Cl1\n1.0\n4.302202 0.000000 -0.000000\n-2.151101 3.725816 0.000000\n-0.000000 0.000000 3.058204\nHf Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.333333 0.666667 0.000000 Cl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hf",
"Cl"
],
"chemical_system": "Cl-Hf",
"density": 7.2471712805330135,
"density_atomic": 0.040799171347771605,
"volume": 49.02060345667381,
"volume_molar": 14.760448707811614,
"formula_full": "Hf1 Cl1",
"formula_reduced": "HfCl",
"formula_anonymous": "AB",
"energy_above_hull": 1.7825135337500002,
"spacegroup": 187
},
{
"id": "jvasp-116158",
"created_at": "2022-09-04T14:38:41.448727Z",
"updated_at": "2022-09-04T14:38:41.448743Z",
"structure_string": "Hf1 Cl2\n1.0\n4.740837 0.000000 -0.000000\n-2.370419 4.105685 -0.000000\n0.000000 -0.000000 3.189555\nHf Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.333335 0.666668 0.000000 Cl\n0.666668 0.333334 0.000000 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Hf",
"Cl"
],
"chemical_system": "Cl-Hf",
"density": 6.67064511077978,
"density_atomic": 0.048322624056926416,
"volume": 62.082721262526086,
"volume_molar": 12.462362873559233,
"formula_full": "Hf1 Cl2",
"formula_reduced": "HfCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.3765170450000004,
"spacegroup": 191
},
{
"id": "jvasp-116159",
"created_at": "2022-09-04T14:38:41.470196Z",
"updated_at": "2022-09-04T14:38:41.470229Z",
"structure_string": "Hf2 Cl1\n1.0\n4.173855 0.000000 0.000000\n0.000000 2.966768 0.000000\n0.000000 0.000000 5.907161\nHf Cl\n2 1\ndirect\n-0.033334 0.000000 0.747587 Hf\n-0.033334 0.000000 0.252414 Hf\n0.466668 0.000000 0.000000 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Hf",
"Cl"
],
"chemical_system": "Cl-Hf",
"density": 8.908710917528987,
"density_atomic": 0.04101299673119878,
"volume": 73.14754441530204,
"volume_molar": 14.683493623910026,
"formula_full": "Hf2 Cl1",
"formula_reduced": "Hf2Cl",
"formula_anonymous": "AB2",
"energy_above_hull": 3.370243355833334,
"spacegroup": 47
},
{
"id": "jvasp-11616",
"created_at": "2022-09-04T14:37:28.338392Z",
"updated_at": "2022-09-04T14:37:28.338425Z",
"structure_string": "Ca2 Ti2 F10\n1.0\n5.303656 0.016153 1.920978\n1.149965 5.177509 1.920978\n-0.003666 -0.002951 7.718675\nCa Ti F\n2 2 10\ndirect\n0.456772 0.543228 0.750001 Ca\n0.543229 0.456771 0.250000 Ca\n0.000000 0.000000 0.000000 Ti\n-0.000000 0.000000 0.500000 Ti\n0.204798 0.255058 0.879569 F\n0.744943 0.795201 0.620432 F\n0.795203 0.744942 0.120432 F\n0.255058 0.204799 0.379569 F\n0.093184 0.906816 0.750001 F\n0.906817 0.093183 0.250000 F\n0.286342 0.684824 0.469672 F\n0.315176 0.713658 0.030329 F\n0.713659 0.315175 0.530329 F\n0.684824 0.286342 0.969672 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Ti",
"F"
],
"chemical_system": "Ca-F-Ti",
"density": 2.867561959927658,
"density_atomic": 0.06607849794965232,
"volume": 211.8692227336512,
"volume_molar": 9.113616300098853,
"formula_full": "Ca2 Ti2 F10",
"formula_reduced": "CaTiF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 1.4285714285966478e-06,
"spacegroup": 15
},
{
"id": "jvasp-116160",
"created_at": "2022-09-04T14:38:50.806438Z",
"updated_at": "2022-09-04T14:38:50.806464Z",
"structure_string": "Hf1 Cl2\n1.0\n5.728971 0.701729 1.159354\n0.586993 -4.897408 0.165277\n-0.593252 -5.125349 -2.845594\nHf Cl\n1 2\ndirect\n0.270032 0.892652 0.368880 Hf\n0.770031 0.392702 0.868796 Cl\n0.270146 0.392405 0.369125 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Hf",
"Cl"
],
"chemical_system": "Cl-Hf",
"density": 5.246216532510008,
"density_atomic": 0.03800396288689362,
"volume": 78.93913613505306,
"volume_molar": 15.84608630926973,
"formula_full": "Hf1 Cl2",
"formula_reduced": "HfCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.284783711666667,
"spacegroup": 123
},
{
"id": "jvasp-116163",
"created_at": "2022-09-04T14:38:40.774507Z",
"updated_at": "2022-09-04T14:38:40.774535Z",
"structure_string": "Hg2 Cl2\n1.0\n4.655609 -0.000000 0.000000\n0.000000 4.655609 0.000000\n0.000000 -0.000000 5.338268\nHg Cl\n2 2\ndirect\n0.000000 0.000000 0.250103 Hg\n0.500001 0.500001 0.749898 Hg\n0.000000 0.000000 0.750103 Cl\n0.500001 0.500001 0.249897 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hg",
"Cl"
],
"chemical_system": "Cl-Hg",
"density": 6.775117749910342,
"density_atomic": 0.034570576352303956,
"volume": 115.70533158708591,
"volume_molar": 17.41984483749764,
"formula_full": "Hg2 Cl2",
"formula_reduced": "HgCl",
"formula_anonymous": "AB",
"energy_above_hull": 0.244801,
"spacegroup": 139
}
]
}