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=-nelements&page=4538",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=4536",
"results": [
{
"id": "jvasp-12142",
"created_at": "2022-09-04T14:37:09.009709Z",
"updated_at": "2022-09-04T14:37:09.009721Z",
"structure_string": "Fe1 I2\n1.0\n3.996841 -0.000000 -0.000000\n-1.998420 3.461366 0.000000\n-0.000000 0.000000 6.750130\nFe I\n1 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.333333 0.666668 0.240438 I\n0.666667 0.333333 0.759562 I\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Fe",
"I"
],
"chemical_system": "Fe-I",
"density": 5.5061644187017444,
"density_atomic": 0.032125117337681364,
"volume": 93.38487291628132,
"volume_molar": 18.745894985218598,
"formula_full": "Fe1 I2",
"formula_reduced": "FeI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.8003260166666668,
"spacegroup": 164
},
{
"id": "jvasp-52135",
"created_at": "2022-09-04T14:37:19.417423Z",
"updated_at": "2022-09-04T14:37:19.417452Z",
"structure_string": "Rb6 C5\n1.0\n3.837630 -6.646971 -0.000000\n3.837630 6.646971 0.000000\n-0.000000 -0.000000 7.733420\nRb C\n6 5\ndirect\n0.389072 0.389072 0.500000 Rb\n0.610927 0.000000 0.500000 Rb\n0.653579 0.653579 0.000000 Rb\n0.346421 0.000000 0.000000 Rb\n0.000000 0.346421 0.000000 Rb\n0.000000 0.610927 0.500000 Rb\n0.333333 0.666667 0.761704 C\n0.000000 0.000000 0.500000 C\n0.666667 0.333333 0.238296 C\n0.666667 0.333333 0.761704 C\n0.333333 0.666667 0.238296 C\n",
"nsites": 11,
"nelements": 2,
"elements": [
"Rb",
"C"
],
"chemical_system": "C-Rb",
"density": 2.4110673731599004,
"density_atomic": 0.027880734306135555,
"volume": 394.53767175634584,
"volume_molar": 21.599649040358102,
"formula_full": "Rb6 C5",
"formula_reduced": "Rb6C5",
"formula_anonymous": "A5B6",
"energy_above_hull": 2.8788736363636365,
"spacegroup": 189
},
{
"id": "jvasp-34497",
"created_at": "2022-09-04T14:37:20.055881Z",
"updated_at": "2022-09-04T14:37:20.055910Z",
"structure_string": "Dy6 O9\n1.0\n3.499592 0.000000 -0.000000\n-1.749797 6.882031 -1.238474\n-0.000000 0.016254 8.638192\nDy O\n6 9\ndirect\n0.635079 0.270160 0.487128 Dy\n0.690619 0.381240 0.137354 Dy\n0.033016 0.066033 0.813230 Dy\n0.364919 0.729840 0.512872 Dy\n0.309379 0.618759 0.862646 Dy\n0.966982 0.933966 0.186770 Dy\n0.871955 0.743914 0.717382 O\n0.793965 0.587933 0.376030 O\n0.128043 0.256085 0.282619 O\n0.206033 0.412066 0.623970 O\n0.500000 -0.000000 0.000000 O\n0.471305 0.942614 0.343770 O\n0.528693 0.057386 0.656230 O\n0.174788 0.349577 0.969703 O\n0.825210 0.650422 0.030297 O\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Dy",
"O"
],
"chemical_system": "Dy-O",
"density": 8.928390187622941,
"density_atomic": 0.07207544498693191,
"volume": 208.11526037362196,
"volume_molar": 8.355329281826679,
"formula_full": "Dy6 O9",
"formula_reduced": "Dy2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.3773467,
"spacegroup": 12
},
{
"id": "jvasp-17987",
"created_at": "2022-09-04T14:37:31.680465Z",
"updated_at": "2022-09-04T14:37:31.680484Z",
"structure_string": "Ni6 P3\n1.0\n2.950526 -5.110461 -0.000000\n2.950526 5.110461 -0.000000\n0.000000 0.000000 3.390007\nNi P\n6 3\ndirect\n0.602401 0.000000 0.500000 Ni\n0.000000 0.602401 0.500000 Ni\n0.739420 0.739420 0.000000 Ni\n0.000000 0.260581 0.000000 Ni\n0.397600 0.397600 0.500000 Ni\n0.260581 0.000000 0.000000 Ni\n0.333334 0.666668 0.000000 P\n0.000000 0.000000 0.500000 P\n0.666668 0.333334 0.000000 P\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Ni",
"P"
],
"chemical_system": "Ni-P",
"density": 7.229340942972415,
"density_atomic": 0.08803439712433046,
"volume": 102.23276689552782,
"volume_molar": 6.840667916990409,
"formula_full": "Ni6 P3",
"formula_reduced": "Ni2P",
"formula_anonymous": "AB2",
"energy_above_hull": 1.3498001,
"spacegroup": 189
},
{
"id": "jvasp-38203",
"created_at": "2022-09-04T14:38:11.710872Z",
"updated_at": "2022-09-04T14:38:11.710901Z",
"structure_string": "Rb3 Ti1\n1.0\n-3.414873 3.414873 4.834435\n3.414873 -3.414873 4.834435\n3.414873 3.414873 -4.834435\nRb Ti\n3 1\ndirect\n0.749999 0.250000 0.500000 Rb\n0.250000 0.749999 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Ti\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Ti"
],
"chemical_system": "Rb-Ti",
"density": 2.240546556301995,
"density_atomic": 0.017738020847307828,
"volume": 225.504301434345,
"volume_molar": 33.95046613057739,
"formula_full": "Rb3 Ti1",
"formula_reduced": "Rb3Ti",
"formula_anonymous": "AB3",
"energy_above_hull": 0.4647445833333333,
"spacegroup": 225
},
{
"id": "jvasp-35989",
"created_at": "2022-09-04T14:37:20.066674Z",
"updated_at": "2022-09-04T14:37:20.066693Z",
"structure_string": "Li2 B2\n1.0\n1.999094 -3.462532 0.000000\n1.999094 3.462532 -0.000000\n-0.000000 -0.000000 3.100869\nLi B\n2 2\ndirect\n0.333332 0.666666 0.750000 Li\n0.666666 0.333332 0.250000 Li\n0.000000 0.000000 0.750000 B\n0.000000 0.000000 0.250000 B\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"B"
],
"chemical_system": "B-Li",
"density": 1.3733649388262796,
"density_atomic": 0.0931793260400945,
"volume": 42.92797737428176,
"volume_molar": 6.462958057250499,
"formula_full": "Li2 B2",
"formula_reduced": "LiB",
"formula_anonymous": "AB",
"energy_above_hull": 1.5956012916666666,
"spacegroup": 194
},
{
"id": "jvasp-78775",
"created_at": "2022-09-04T14:37:18.323961Z",
"updated_at": "2022-09-04T14:37:18.323995Z",
"structure_string": "Zr1 Co1\n1.0\n3.173031 0.000000 0.000000\n0.000000 3.173031 0.000000\n-0.000000 0.000000 3.173031\nZr Co\n1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Co\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"Co"
],
"chemical_system": "Co-Zr",
"density": 7.804989066515399,
"density_atomic": 0.06260471608444722,
"volume": 31.946475043544787,
"volume_molar": 9.619308474902692,
"formula_full": "Zr1 Co1",
"formula_reduced": "ZrCo",
"formula_anonymous": "AB",
"energy_above_hull": 2.3575927,
"spacegroup": 221
},
{
"id": "jvasp-36542",
"created_at": "2022-09-04T14:37:20.068911Z",
"updated_at": "2022-09-04T14:37:20.068938Z",
"structure_string": "Zr2 C2\n1.0\n1.686715 -2.921477 -0.000000\n1.686715 2.921477 0.000000\n-0.000000 0.000000 5.328005\nZr C\n2 2\ndirect\n0.333334 0.666669 0.250000 Zr\n0.666669 0.333334 0.750001 Zr\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"C"
],
"chemical_system": "C-Zr",
"density": 6.5292905526341025,
"density_atomic": 0.07617653131067173,
"volume": 52.509610652744854,
"volume_molar": 7.905506665090624,
"formula_full": "Zr2 C2",
"formula_reduced": "ZrC",
"formula_anonymous": "AB",
"energy_above_hull": 3.0497372500000006,
"spacegroup": 194
},
{
"id": "jvasp-36000",
"created_at": "2022-09-04T14:37:09.001395Z",
"updated_at": "2022-09-04T14:37:09.001408Z",
"structure_string": "Sn2 S4\n1.0\n5.088326 -0.000000 -2.314225\n-1.052534 4.978274 -2.314225\n-0.077701 -0.095847 6.580163\nSn S\n2 4\ndirect\n0.250001 0.749999 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.856299 0.874999 0.250001 S\n0.625001 0.143701 0.750000 S\n0.393703 0.375000 0.250000 S\n0.125001 0.606297 0.750000 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sn",
"S"
],
"chemical_system": "S-Sn",
"density": 3.6930189634623276,
"density_atomic": 0.03649072418782279,
"volume": 164.42534735998038,
"volume_molar": 16.503209771894937,
"formula_full": "Sn2 S4",
"formula_reduced": "SnS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.1287439,
"spacegroup": 122
},
{
"id": "jvasp-8288",
"created_at": "2022-09-04T14:37:05.790450Z",
"updated_at": "2022-09-04T14:37:05.790478Z",
"structure_string": "Bi2 N2\n1.0\n3.608683 -0.161717 -0.026160\n-0.183991 -4.066368 -0.000411\n-0.037620 0.003404 -5.213287\nBi N\n2 2\ndirect\n0.627274 0.103066 0.035560 Bi\n0.127227 0.645003 0.535486 Bi\n0.627410 -0.021092 0.459043 N\n0.127070 0.769158 0.958998 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Bi",
"N"
],
"chemical_system": "Bi-N",
"density": 9.660270623514135,
"density_atomic": 0.05217836322782735,
"volume": 76.66012792572135,
"volume_molar": 11.541452026207521,
"formula_full": "Bi2 N2",
"formula_reduced": "BiN",
"formula_anonymous": "AB",
"energy_above_hull": 2.2930037750000003,
"spacegroup": 31
},
{
"id": "jvasp-5764",
"created_at": "2022-09-04T14:38:11.669438Z",
"updated_at": "2022-09-04T14:38:11.669466Z",
"structure_string": "Ti4 Cl16\n1.0\n0.000000 9.582653 0.000833\n6.423192 0.000000 0.000000\n0.000000 -2.003917 -9.383601\nTi Cl\n4 16\ndirect\n0.250183 0.578465 0.630581 Ti\n0.749816 0.078465 0.869419 Ti\n0.749816 0.421535 0.369420 Ti\n0.250183 0.921535 0.130581 Ti\n0.691330 0.581129 0.549870 Cl\n0.308669 0.081129 0.950130 Cl\n0.073141 0.415673 0.694447 Cl\n0.926858 0.915673 0.805553 Cl\n0.926859 0.584327 0.305553 Cl\n0.073141 0.084327 0.194447 Cl\n0.188393 0.899526 0.572759 Cl\n0.811606 0.100474 0.427241 Cl\n0.691330 0.918870 0.049870 Cl\n0.188393 0.600473 0.072759 Cl\n0.433216 0.923160 0.309718 Cl\n0.566783 0.423160 0.190282 Cl\n0.566783 0.076840 0.690282 Cl\n0.433216 0.576840 0.809718 Cl\n0.811606 0.399526 0.927241 Cl\n0.308669 0.418870 0.450130 Cl\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Ti",
"Cl"
],
"chemical_system": "Cl-Ti",
"density": 2.1813743567988597,
"density_atomic": 0.03462835482957235,
"volume": 577.5613683766505,
"volume_molar": 17.39077928951201,
"formula_full": "Ti4 Cl16",
"formula_reduced": "TiCl4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.5798389206666669,
"spacegroup": 14
},
{
"id": "jvasp-10115",
"created_at": "2022-09-04T14:37:31.723141Z",
"updated_at": "2022-09-04T14:37:31.723161Z",
"structure_string": "Cd8 As8\n1.0\n6.126778 -0.000000 0.000000\n0.000000 7.912642 0.000000\n0.000000 0.000000 8.131887\nCd As\n8 8\ndirect\n0.050256 0.631958 0.861689 Cd\n0.550256 0.868042 0.138311 Cd\n0.949744 0.131958 0.638311 Cd\n0.449744 0.368042 0.361689 Cd\n0.949744 0.368042 0.138311 Cd\n0.449744 0.131958 0.861689 Cd\n0.050256 0.868042 0.361689 Cd\n0.550256 0.631958 0.638311 Cd\n0.633133 0.065382 0.403619 As\n0.133133 0.434617 0.596381 As\n0.366867 0.565382 0.096381 As\n0.866868 0.934617 0.903619 As\n0.366867 0.934617 0.596381 As\n0.866868 0.565382 0.403619 As\n0.633133 0.434617 0.903619 As\n0.133133 0.065382 0.096381 As\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Cd",
"As"
],
"chemical_system": "As-Cd",
"density": 6.312588051829053,
"density_atomic": 0.040585881817842714,
"volume": 394.2257574151301,
"volume_molar": 14.838018764822044,
"formula_full": "Cd8 As8",
"formula_reduced": "CdAs",
"formula_anonymous": "AB",
"energy_above_hull": 0.2775286249999999,
"spacegroup": 61
}
]
}