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=-structure_string&page=3860",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-structure_string&page=3858",
"results": [
{
"id": "jvasp-62875",
"created_at": "2022-09-04T14:36:15.002439Z",
"updated_at": "2022-09-04T14:36:15.002467Z",
"structure_string": "Ca1 Ni12 B6\n1.0\n3.698822 -4.773775 -0.005421\n3.698822 4.773775 -0.005421\n-2.454213 0.000000 5.517888\nCa Ni B\n1 12 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.869348 0.130652 Ni\n0.186930 0.455379 0.455380 Ni\n0.544621 0.813070 0.544621 Ni\n0.544621 0.544621 0.813070 Ni\n0.813070 0.544621 0.544621 Ni\n0.500000 0.130652 0.869349 Ni\n0.869348 0.500000 0.130652 Ni\n0.130652 0.869348 0.500000 Ni\n0.455379 0.455379 0.186931 Ni\n0.130652 0.500000 0.869349 Ni\n0.869348 0.130652 0.500000 Ni\n0.455379 0.186930 0.455380 Ni\n0.235529 0.235529 0.665575 B\n0.235529 0.665575 0.235529 B\n0.665575 0.235529 0.235529 B\n0.764471 0.334425 0.764471 B\n0.764471 0.764471 0.334426 B\n0.334425 0.764471 0.764471 B\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Ca",
"Ni",
"B"
],
"chemical_system": "B-Ca-Ni",
"density": 6.900724442691754,
"density_atomic": 0.09756825517806378,
"volume": 194.73546970092542,
"volume_molar": 6.172233734229938,
"formula_full": "Ca1 Ni12 B6",
"formula_reduced": "Ca(Ni2B)6",
"formula_anonymous": "AB6C12",
"energy_above_hull": 2.56162235368421,
"spacegroup": 166
},
{
"id": "jvasp-61049",
"created_at": "2022-09-04T14:36:08.691394Z",
"updated_at": "2022-09-04T14:36:08.691424Z",
"structure_string": "Ca1 Ni12 B6\n1.0\n3.698776 -4.773642 -0.005882\n3.698776 4.773642 -0.005882\n-2.453304 -0.000000 5.518145\nCa Ni B\n1 12 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.869341 0.130662 0.500001 Ni\n0.544637 0.544637 0.813077 Ni\n0.455366 0.186925 0.455365 Ni\n0.186925 0.455366 0.455365 Ni\n0.455366 0.455366 0.186924 Ni\n0.130662 0.869341 0.500001 Ni\n0.869341 0.500001 0.130661 Ni\n0.500001 0.130662 0.869341 Ni\n0.813078 0.544637 0.544636 Ni\n0.130662 0.500001 0.869341 Ni\n0.500001 0.869341 0.130661 Ni\n0.544637 0.813078 0.544636 Ni\n0.334427 0.764464 0.764464 B\n0.764464 0.334427 0.764464 B\n0.764464 0.764464 0.334426 B\n0.235538 0.665575 0.235538 B\n0.665575 0.235538 0.235538 B\n0.235538 0.235538 0.665575 B\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Ca",
"Ni",
"B"
],
"chemical_system": "B-Ca-Ni",
"density": 6.9010619527613635,
"density_atomic": 0.09757302717973844,
"volume": 194.72594577803005,
"volume_molar": 6.17193186894434,
"formula_full": "Ca1 Ni12 B6",
"formula_reduced": "Ca(Ni2B)6",
"formula_anonymous": "AB6C12",
"energy_above_hull": 2.5616213010526314,
"spacegroup": 166
},
{
"id": "jvasp-78435",
"created_at": "2022-09-04T14:37:16.119127Z",
"updated_at": "2022-09-04T14:37:16.119162Z",
"structure_string": "Ca1 Ni1\n1.0\n3.398348 -0.000000 0.000000\n0.000000 3.398348 -0.000000\n0.000000 0.000000 3.398348\nCa Ni\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"Ni"
],
"chemical_system": "Ca-Ni",
"density": 4.179042211020936,
"density_atomic": 0.050959651165108116,
"volume": 39.24673647235232,
"volume_molar": 11.817468570356576,
"formula_full": "Ca1 Ni1",
"formula_reduced": "CaNi",
"formula_anonymous": "AB",
"energy_above_hull": 0.14041141,
"spacegroup": 221
},
{
"id": "jvasp-120656",
"created_at": "2022-09-04T14:38:48.162052Z",
"updated_at": "2022-09-04T14:38:48.162081Z",
"structure_string": "Ca1 Nd3 Mn4 O12\n1.0\n7.697486 -0.000000 0.000000\n0.000000 5.426657 0.027736\n-0.000000 -0.035903 5.497381\nCa Nd Mn O\n1 3 4 12\ndirect\n0.500000 0.490026 0.542844 Ca\n0.500000 0.009615 0.043862 Nd\n-0.000000 0.509498 0.457040 Nd\n-0.000000 0.991950 0.956470 Nd\n0.253551 0.000708 0.500754 Mn\n0.746795 0.499857 0.998569 Mn\n0.746450 0.000708 0.500754 Mn\n0.253206 0.499857 0.998569 Mn\n0.285539 0.208815 0.791089 O\n0.708273 0.286879 0.287222 O\n0.714461 0.208815 0.791089 O\n0.291728 0.286879 0.287222 O\n0.210034 0.786893 0.212789 O\n0.500000 0.920140 0.484974 O\n-0.000000 0.075428 0.510334 O\n-0.000000 0.427615 0.015252 O\n0.205431 0.716927 0.715609 O\n0.500000 0.575584 0.977165 O\n0.794569 0.716927 0.715609 O\n0.789966 0.786893 0.212789 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Nd",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-Nd-O",
"density": 6.396160749530643,
"density_atomic": 0.08709202371263111,
"volume": 229.64215490033865,
"volume_molar": 6.914686906197815,
"formula_full": "Ca1 Nd3 Mn4 O12",
"formula_reduced": "CaNd3Mn4O12",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 3.044712794275862,
"spacegroup": 6
},
{
"id": "jvasp-40092",
"created_at": "2022-09-04T14:37:57.117460Z",
"updated_at": "2022-09-04T14:37:57.117475Z",
"structure_string": "Ca1 Nd1 Zn2\n1.0\n0.000184 3.655267 3.655267\n3.655267 0.000184 3.655267\n3.655267 3.655267 0.000184\nCa Nd Zn\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Nd\n0.999969 0.999969 0.999969 Zn\n0.500030 0.500030 0.500030 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Nd",
"Zn"
],
"chemical_system": "Ca-Nd-Zn",
"density": 5.357909246410027,
"density_atomic": 0.04095486253303273,
"volume": 97.66850021224568,
"volume_molar": 14.704336402405835,
"formula_full": "Ca1 Nd1 Zn2",
"formula_reduced": "CaNdZn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-40099",
"created_at": "2022-09-04T14:37:50.348060Z",
"updated_at": "2022-09-04T14:37:50.348082Z",
"structure_string": "Ca1 Nd1 Rh2\n1.0\n0.000000 3.470115 3.470115\n3.470115 0.000000 3.470115\n3.470115 3.470115 -0.000000\nCa Nd Rh\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Ca\n0.749999 0.749999 0.749999 Nd\n0.499998 0.499998 0.499998 Rh\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Nd",
"Rh"
],
"chemical_system": "Ca-Nd-Rh",
"density": 7.751717907667888,
"density_atomic": 0.04786283211323476,
"volume": 83.57215449634754,
"volume_molar": 12.582081949836796,
"formula_full": "Ca1 Nd1 Rh2",
"formula_reduced": "CaNdRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.59800948,
"spacegroup": 225
},
{
"id": "jvasp-39874",
"created_at": "2022-09-04T14:37:41.365761Z",
"updated_at": "2022-09-04T14:37:41.365785Z",
"structure_string": "Ca1 Nd1 Hg2\n1.0\n0.000000 3.779618 3.779618\n3.779618 0.000000 3.779618\n3.779618 3.779618 0.000000\nCa Nd Hg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ca\n0.749999 0.749999 0.749999 Nd\n0.000000 0.000000 0.000000 Hg\n0.499999 0.499999 0.499999 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Nd",
"Hg"
],
"chemical_system": "Ca-Hg-Nd",
"density": 9.00331148171268,
"density_atomic": 0.03704130423073265,
"volume": 107.98755829664485,
"volume_molar": 16.25790690977753,
"formula_full": "Ca1 Nd1 Hg2",
"formula_reduced": "CaNdHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-99558",
"created_at": "2022-09-04T14:36:38.222650Z",
"updated_at": "2022-09-04T14:36:38.222673Z",
"structure_string": "Ca1 Nd1 Cr1 O4\n1.0\n3.677351 0.025698 -5.491796\n-0.318344 3.663636 -5.491796\n-0.023397 -0.025698 6.609250\nCa Nd Cr O\n1 1 1 4\ndirect\n0.641828 0.641829 0.000000 Ca\n0.359681 0.359681 0.000000 Nd\n0.006911 0.006911 0.000000 Cr\n0.995719 0.495720 0.499999 O\n0.495720 0.995720 0.500000 O\n0.830597 0.830598 0.000001 O\n0.169544 0.169544 0.000000 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Ca",
"Nd",
"Cr",
"O"
],
"chemical_system": "Ca-Cr-Nd-O",
"density": 5.662621814983701,
"density_atomic": 0.07948613052479522,
"volume": 88.0656782986359,
"volume_molar": 7.576341583418039,
"formula_full": "Ca1 Nd1 Cr1 O4",
"formula_reduced": "CaNdCrO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.120890474285715,
"spacegroup": 107
},
{
"id": "jvasp-106120",
"created_at": "2022-09-04T14:35:56.397281Z",
"updated_at": "2022-09-04T14:35:56.397310Z",
"structure_string": "Ca1 Nd1 Co1 O4\n1.0\n3.587189 0.016950 -5.536221\n-0.299399 3.574713 -5.536221\n-0.015516 -0.016950 6.596773\nCa Nd Co O\n1 1 1 4\ndirect\n0.639787 0.639786 -0.000000 Ca\n0.360073 0.360073 -0.000000 Nd\n0.011599 0.011599 -0.000000 Co\n0.831496 0.831495 -0.000000 O\n0.167655 0.167655 -0.000000 O\n0.994695 0.494695 0.499999 O\n0.494694 0.994694 0.499999 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Ca",
"Nd",
"Co",
"O"
],
"chemical_system": "Ca-Co-Nd-O",
"density": 6.077109912939694,
"density_atomic": 0.08337829663110548,
"volume": 83.95470143711894,
"volume_molar": 7.222671850258637,
"formula_full": "Ca1 Nd1 Co1 O4",
"formula_reduced": "CaNdCoO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.9248281171428572,
"spacegroup": 107
},
{
"id": "jvasp-40326",
"created_at": "2022-09-04T14:37:43.232729Z",
"updated_at": "2022-09-04T14:37:43.232752Z",
"structure_string": "Ca1 Nd1 Cd2\n1.0\n0.000000 3.810700 3.810700\n3.810700 0.000000 3.810700\n3.810700 3.810700 0.000000\nCa Nd Cd\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ca\n0.749999 0.749999 0.749999 Nd\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Nd",
"Cd"
],
"chemical_system": "Ca-Cd-Nd",
"density": 6.138734995664632,
"density_atomic": 0.036142294113052066,
"volume": 110.673660822086,
"volume_molar": 16.66230909737748,
"formula_full": "Ca1 Nd1 Cd2",
"formula_reduced": "CaNdCd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-103508",
"created_at": "2022-09-04T14:36:33.615696Z",
"updated_at": "2022-09-04T14:36:33.615734Z",
"structure_string": "Ca1 Nd1 Al1 O4\n1.0\n3.555343 0.006695 -5.615546\n-0.293264 3.543233 -5.615546\n-0.006152 -0.006695 6.646411\nCa Nd Al O\n1 1 1 4\ndirect\n0.642339 0.642338 -0.000002 Ca\n0.357368 0.357367 -0.000001 Nd\n0.009467 0.009467 -0.000000 Al\n0.830953 0.830951 -0.000002 O\n0.165584 0.165583 -0.000000 O\n0.497146 0.997144 0.499999 O\n0.997145 0.497144 0.499998 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Ca",
"Nd",
"Al",
"O"
],
"chemical_system": "Al-Ca-Nd-O",
"density": 5.476512677826442,
"density_atomic": 0.08385871194235137,
"volume": 83.47373621493432,
"volume_molar": 7.181294132134917,
"formula_full": "Ca1 Nd1 Al1 O4",
"formula_reduced": "CaNdAlO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.548041245714286,
"spacegroup": 107
},
{
"id": "jvasp-120417",
"created_at": "2022-09-04T14:38:51.961908Z",
"updated_at": "2022-09-04T14:38:51.961942Z",
"structure_string": "Ca1 Nb2 Cu1 Br1 O7\n1.0\n3.933525 0.000000 0.000000\n0.000000 3.933525 0.000000\n-0.000000 -0.000000 11.552651\nCa Nb Cu Br O\n1 2 1 1 7\ndirect\n0.000000 0.000000 0.000000 Ca\n0.499999 0.499999 0.815936 Nb\n0.499999 0.499999 0.184064 Nb\n0.499999 0.499999 0.500000 Cu\n0.000000 0.000000 0.500000 Br\n-0.000000 0.499999 0.152214 O\n0.499999 -0.000000 0.152214 O\n0.499999 0.499999 0.344749 O\n0.499999 -0.000000 0.847786 O\n-0.000000 0.499999 0.847786 O\n0.499999 0.499999 0.655251 O\n0.499999 0.499999 -0.000000 O\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Ca",
"Nb",
"Cu",
"Br",
"O"
],
"chemical_system": "Br-Ca-Cu-Nb-O",
"density": 4.471492062319022,
"density_atomic": 0.06713295482681866,
"volume": 178.74976650374057,
"volume_molar": 8.970468789188825,
"formula_full": "Ca1 Nb2 Cu1 Br1 O7",
"formula_reduced": "CaNb2CuBrO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 2.551088189583333,
"spacegroup": 123
}
]
}