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=spacegroup&page=3387",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=3385",
"results": [
{
"id": "jvasp-56887",
"created_at": "2022-09-04T14:38:36.015016Z",
"updated_at": "2022-09-04T14:38:36.015031Z",
"structure_string": "Pr4 B6 Cl2\n1.0\n1.785499 -3.092575 0.000000\n1.785499 3.092575 -0.000000\n-0.000000 0.000000 17.881761\nPr B Cl\n4 6 2\ndirect\n0.666667 0.333333 0.372325 Pr\n0.333333 0.666667 0.872325 Pr\n0.666667 0.333333 0.127675 Pr\n0.333333 0.666667 0.627675 Pr\n0.833564 0.166436 0.750000 B\n0.166436 0.332872 0.250000 B\n0.667128 0.833564 0.250000 B\n0.332872 0.166436 0.750000 B\n0.833564 0.667128 0.750000 B\n0.166436 0.833564 0.250000 B\n0.000000 0.000000 0.500000 Cl\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Pr",
"B",
"Cl"
],
"chemical_system": "B-Cl-Pr",
"density": 5.881068070602307,
"density_atomic": 0.0607660647859438,
"volume": 197.47864276338328,
"volume_molar": 9.910368198457078,
"formula_full": "Pr4 B6 Cl2",
"formula_reduced": "Pr2B3Cl",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.026036919583333,
"spacegroup": 194
},
{
"id": "jvasp-110013",
"created_at": "2022-09-04T14:38:36.281138Z",
"updated_at": "2022-09-04T14:38:36.281157Z",
"structure_string": "Na2 Yb6\n1.0\n7.557725 0.000000 0.000000\n-3.778863 6.545182 0.000000\n-0.000000 -0.000000 6.165946\nYb Na\n6 2\ndirect\n0.668632 0.834315 0.250000 Yb\n0.165685 0.834315 0.250000 Yb\n0.834316 0.668631 0.750000 Yb\n0.331369 0.165685 0.750000 Yb\n0.834316 0.165685 0.750000 Yb\n0.165685 0.331369 0.250000 Yb\n0.333334 0.666666 0.750000 Na\n0.666667 0.333333 0.250000 Na\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Yb",
"Na"
],
"chemical_system": "Na-Yb",
"density": 5.902741944118241,
"density_atomic": 0.026228741767138544,
"volume": 305.0089123994136,
"volume_molar": 22.96008254404723,
"formula_full": "Na2 Yb6",
"formula_reduced": "NaYb3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-37619",
"created_at": "2022-09-04T14:38:36.192233Z",
"updated_at": "2022-09-04T14:38:36.192261Z",
"structure_string": "Y6 Tm2\n1.0\n3.599654 -6.234783 -0.000000\n3.599654 6.234783 0.000000\n-0.000000 -0.000000 5.599497\nY Tm\n6 2\ndirect\n0.167685 0.335370 0.250000 Y\n0.664629 0.832314 0.250000 Y\n0.167685 0.832314 0.250000 Y\n0.832314 0.664629 0.750000 Y\n0.335370 0.167685 0.750000 Y\n0.832314 0.167685 0.750000 Y\n0.333333 0.666666 0.750000 Tm\n0.666666 0.333333 0.250000 Tm\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Y",
"Tm"
],
"chemical_system": "Tm-Y",
"density": 5.756486006181449,
"density_atomic": 0.031829430941975184,
"volume": 251.33971180898396,
"volume_molar": 18.920039038644198,
"formula_full": "Y6 Tm2",
"formula_reduced": "Y3Tm",
"formula_anonymous": "AB3",
"energy_above_hull": 2.51639515,
"spacegroup": 194
},
{
"id": "jvasp-57638",
"created_at": "2022-09-04T14:38:36.694286Z",
"updated_at": "2022-09-04T14:38:36.694317Z",
"structure_string": "Ca4 Cd8\n1.0\n3.008589 -5.211028 0.000000\n3.008589 5.211028 -0.000000\n0.000000 -0.000000 9.578587\nCa Cd\n4 8\ndirect\n0.333333 0.666667 0.059836 Ca\n0.666667 0.333333 0.559836 Ca\n0.666667 0.333333 0.940165 Ca\n0.333333 0.666667 0.440164 Ca\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.341753 0.170876 0.250000 Cd\n0.170876 0.341753 0.750000 Cd\n0.170876 0.829124 0.750000 Cd\n0.829124 0.170876 0.250000 Cd\n0.829124 0.658247 0.250000 Cd\n0.658247 0.829124 0.750000 Cd\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ca",
"Cd"
],
"chemical_system": "Ca-Cd",
"density": 5.858323273428403,
"density_atomic": 0.039954300546275995,
"volume": 300.3431379333327,
"volume_molar": 15.072572107788542,
"formula_full": "Ca4 Cd8",
"formula_reduced": "CaCd2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.10738375,
"spacegroup": 194
},
{
"id": "jvasp-110847",
"created_at": "2022-09-04T14:38:36.525891Z",
"updated_at": "2022-09-04T14:38:36.525920Z",
"structure_string": "Pm6 Hg2\n1.0\n7.007413 0.000000 0.000000\n-3.503707 6.068597 0.000000\n-0.000000 -0.000000 5.495054\nPm Hg\n6 2\ndirect\n0.174392 0.348784 0.250000 Pm\n0.651216 0.825608 0.250000 Pm\n0.174392 0.825608 0.250000 Pm\n0.825607 0.651217 0.749999 Pm\n0.348783 0.174392 0.749999 Pm\n0.825607 0.174392 0.749999 Pm\n0.333333 0.666667 0.749999 Hg\n0.666666 0.333333 0.250000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pm",
"Hg"
],
"chemical_system": "Hg-Pm",
"density": 9.033128152829669,
"density_atomic": 0.034235132244533804,
"volume": 233.67808083397514,
"volume_molar": 17.590528691360706,
"formula_full": "Pm6 Hg2",
"formula_reduced": "Pm3Hg",
"formula_anonymous": "AB3",
"energy_above_hull": 1.0417191166666666,
"spacegroup": 194
},
{
"id": "jvasp-119641",
"created_at": "2022-09-04T14:38:36.540627Z",
"updated_at": "2022-09-04T14:38:36.540653Z",
"structure_string": "Dy4 Zn4 Sn4\n1.0\n4.484122 0.000000 0.000000\n-2.242061 3.883363 0.000000\n-0.000000 -0.000000 15.891125\nDy Zn Sn\n4 4 4\ndirect\n0.000000 0.000000 0.250000 Dy\n0.000000 0.000000 0.750000 Dy\n0.000000 0.000000 0.000000 Dy\n0.000000 0.000000 0.500000 Dy\n0.333333 0.666666 0.161974 Zn\n0.666666 0.333333 0.838026 Zn\n0.666666 0.333333 0.661974 Zn\n0.333333 0.666666 0.338026 Zn\n0.333333 0.666666 0.612595 Sn\n0.666666 0.333333 0.387405 Sn\n0.666666 0.333333 0.112595 Sn\n0.333333 0.666666 0.887405 Sn\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Dy",
"Zn",
"Sn"
],
"chemical_system": "Dy-Sn-Zn",
"density": 8.3199631266016,
"density_atomic": 0.04336518403525433,
"volume": 276.7196834733696,
"volume_molar": 13.887040707827314,
"formula_full": "Dy4 Zn4 Sn4",
"formula_reduced": "DyZnSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-109919",
"created_at": "2022-09-04T14:38:36.562026Z",
"updated_at": "2022-09-04T14:38:36.562044Z",
"structure_string": "Ac2 La6\n1.0\n7.625580 -0.000000 0.000000\n-3.812790 6.603946 0.000000\n-0.000000 -0.000000 6.151167\nAc La\n2 6\ndirect\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333334 0.250000 Ac\n0.164185 0.328371 0.250000 La\n0.671630 0.835815 0.250000 La\n0.164185 0.835815 0.250000 La\n0.835815 0.671630 0.750000 La\n0.328371 0.164185 0.750000 La\n0.835815 0.164185 0.750000 La\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ac",
"La"
],
"chemical_system": "Ac-La",
"density": 6.901440699607298,
"density_atomic": 0.02582593620951237,
"volume": 309.76611787081663,
"volume_molar": 23.318189556210115,
"formula_full": "Ac2 La6",
"formula_reduced": "AcLa3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.59020875,
"spacegroup": 194
},
{
"id": "jvasp-110787",
"created_at": "2022-09-04T14:38:36.931190Z",
"updated_at": "2022-09-04T14:38:36.931216Z",
"structure_string": "Er2 Sb6\n1.0\n6.575839 -0.000000 0.000000\n-3.287919 5.694843 0.000000\n0.000000 0.000000 5.808320\nEr Sb\n2 6\ndirect\n0.333333 0.666666 0.750000 Er\n0.666667 0.333333 0.250000 Er\n0.175415 0.350830 0.250000 Sb\n0.649170 0.824584 0.250000 Sb\n0.175415 0.824584 0.250000 Sb\n0.824584 0.649170 0.750000 Sb\n0.350830 0.175415 0.750000 Sb\n0.824585 0.175415 0.750000 Sb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Er",
"Sb"
],
"chemical_system": "Er-Sb",
"density": 8.13105781856061,
"density_atomic": 0.03677955960257729,
"volume": 217.51212049421625,
"volume_molar": 16.373607582778135,
"formula_full": "Er2 Sb6",
"formula_reduced": "ErSb3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.459087075,
"spacegroup": 194
},
{
"id": "jvasp-110757",
"created_at": "2022-09-04T14:38:36.794492Z",
"updated_at": "2022-09-04T14:38:36.794527Z",
"structure_string": "Ca6 Lu2\n1.0\n7.445479 0.000000 0.000000\n-3.722740 6.447973 0.000000\n-0.000000 -0.000000 6.100322\nCa Lu\n6 2\ndirect\n0.341474 0.170737 0.750000 Ca\n0.829263 0.658525 0.750000 Ca\n0.170737 0.829262 0.250000 Ca\n0.658525 0.829262 0.250000 Ca\n0.170737 0.341474 0.250000 Ca\n0.829263 0.170737 0.750000 Ca\n0.666667 0.333333 0.250000 Lu\n0.333333 0.666666 0.750000 Lu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ca",
"Lu"
],
"chemical_system": "Ca-Lu",
"density": 3.3475594980850087,
"density_atomic": 0.02731626858568847,
"volume": 292.8657687965243,
"volume_molar": 22.045986043478564,
"formula_full": "Ca6 Lu2",
"formula_reduced": "Ca3Lu",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0409042525,
"spacegroup": 194
},
{
"id": "jvasp-30923",
"created_at": "2022-09-04T14:38:36.719474Z",
"updated_at": "2022-09-04T14:38:36.719484Z",
"structure_string": "Sn6 Pt4\n1.0\n2.212950 -3.832942 0.000000\n2.212950 3.832942 -0.000000\n-0.000000 0.000000 13.232014\nSn Pt\n6 4\ndirect\n0.666667 0.333333 0.928499 Sn\n0.333333 0.666667 0.071501 Sn\n0.666667 0.333333 0.571501 Sn\n0.333333 0.666667 0.428499 Sn\n0.000000 0.000000 0.750000 Sn\n0.000000 0.000000 0.250000 Sn\n0.333333 0.666667 0.856618 Pt\n0.666667 0.333333 0.356618 Pt\n0.333333 0.666667 0.643381 Pt\n0.666667 0.333333 0.143382 Pt\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Sn",
"Pt"
],
"chemical_system": "Pt-Sn",
"density": 11.04158892555866,
"density_atomic": 0.04454923016459265,
"volume": 224.47077004594158,
"volume_molar": 13.517945737222519,
"formula_full": "Sn6 Pt4",
"formula_reduced": "Sn3Pt2",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.28970758,
"spacegroup": 194
},
{
"id": "jvasp-21705",
"created_at": "2022-09-04T14:38:36.722916Z",
"updated_at": "2022-09-04T14:38:36.722947Z",
"structure_string": "Tm4 Ni2 As4\n1.0\n2.033414 -3.521976 -0.000000\n2.033414 3.521976 -0.000000\n-0.000000 -0.000000 13.925114\nTm Ni As\n4 2 4\ndirect\n0.333332 0.666666 0.882872 Tm\n0.666666 0.333332 0.382872 Tm\n0.666666 0.333332 0.117128 Tm\n0.333332 0.666666 0.617128 Tm\n0.000000 0.000000 0.750000 Ni\n0.000000 0.000000 0.250000 Ni\n0.000000 0.000000 0.000000 As\n0.333332 0.666666 0.250000 As\n0.666666 0.333332 0.750000 As\n0.000000 0.000000 0.500000 As\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tm",
"Ni",
"As"
],
"chemical_system": "As-Ni-Tm",
"density": 9.098144231304097,
"density_atomic": 0.050137080763487156,
"volume": 199.4531761267322,
"volume_molar": 12.011351016642527,
"formula_full": "Tm4 Ni2 As4",
"formula_reduced": "Tm2NiAs2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.5340208799999997,
"spacegroup": 194
},
{
"id": "jvasp-119675",
"created_at": "2022-09-04T14:38:36.723680Z",
"updated_at": "2022-09-04T14:38:36.723719Z",
"structure_string": "Cr2 Co6 N6\n1.0\n6.339860 -0.064894 0.000000\n-3.116810 5.523570 0.000000\n-0.000000 -0.000000 3.885238\nCr Co N\n2 6 6\ndirect\n0.666683 0.333340 0.750000 Cr\n0.333318 0.666661 0.250000 Cr\n0.819226 0.638472 0.250000 Co\n0.819171 0.180744 0.250000 Co\n0.361471 0.180766 0.250000 Co\n0.180775 0.361528 0.750000 Co\n0.180830 0.819257 0.750000 Co\n0.638529 0.819235 0.750000 Co\n0.830643 0.661288 0.750000 N\n0.830577 0.169329 0.750000 N\n0.338652 0.169363 0.750000 N\n0.169358 0.338713 0.250000 N\n0.169424 0.830671 0.250000 N\n0.661349 0.830638 0.250000 N\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cr",
"Co",
"N"
],
"chemical_system": "Co-Cr-N",
"density": 6.648927517879358,
"density_atomic": 0.10349671530660927,
"volume": 135.26999343433235,
"volume_molar": 5.8186781504701806,
"formula_full": "Cr2 Co6 N6",
"formula_reduced": "Cr(CoN)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 4.902867121428572,
"spacegroup": 194
}
]
}