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=4330",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=4328",
"results": [
{
"id": "jvasp-105553",
"created_at": "2022-09-04T14:38:48.482754Z",
"updated_at": "2022-09-04T14:38:48.482781Z",
"structure_string": "Ba2 Al1 Ga3\n1.0\n4.786867 -0.004033 3.921856\n2.243350 4.228652 3.921856\n-0.011442 -0.006876 7.917017\nBa Al Ga\n2 1 3\ndirect\n0.251605 0.251604 0.189088 Ba\n0.748244 0.748242 0.810566 Ba\n0.424065 0.424065 0.416550 Al\n0.573351 0.573350 0.584095 Ga\n0.925700 0.925700 0.236988 Ga\n0.077039 0.077037 0.762715 Ga\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Ga"
],
"chemical_system": "Al-Ba-Ga",
"density": 5.281960608221452,
"density_atomic": 0.03736307085640747,
"volume": 160.58637211751153,
"volume_molar": 16.11789561715656,
"formula_full": "Ba2 Al1 Ga3",
"formula_reduced": "Ba2AlGa3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0,
"spacegroup": 8
},
{
"id": "jvasp-105552",
"created_at": "2022-09-04T14:37:00.367480Z",
"updated_at": "2022-09-04T14:37:00.367503Z",
"structure_string": "Ba2 Ce1 Zr1 O6\n1.0\n4.332871 0.000000 0.000000\n0.000000 4.332871 0.000000\n-0.000000 -0.000000 8.746732\nBa Ce Zr O\n2 1 1 6\ndirect\n0.500000 0.500000 0.262008 Ba\n0.500000 0.500000 0.737992 Ba\n0.000000 0.000000 0.000000 Ce\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.262881 O\n0.000000 0.000000 0.737119 O\n-0.000000 0.500000 -0.000000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.000000 -0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Ce",
"Zr",
"O"
],
"chemical_system": "Ba-Ce-O-Zr",
"density": 6.08753294574546,
"density_atomic": 0.0608979483611126,
"volume": 164.2091444641453,
"volume_molar": 9.888905820422579,
"formula_full": "Ba2 Ce1 Zr1 O6",
"formula_reduced": "Ba2CeZrO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.104834294,
"spacegroup": 123
},
{
"id": "jvasp-105550",
"created_at": "2022-09-04T14:36:59.799577Z",
"updated_at": "2022-09-04T14:36:59.799596Z",
"structure_string": "Ba2 Cd2 Pb2\n1.0\n5.201798 0.060658 4.251309\n2.431820 4.598764 4.251309\n-0.010001 -0.006105 8.549481\nBa Cd Pb\n2 2 2\ndirect\n0.544793 0.544793 0.204631 Ba\n0.455207 0.455208 0.795368 Ba\n0.156024 0.156024 0.398751 Cd\n0.843976 0.843976 0.601249 Cd\n0.834376 0.834375 0.231030 Pb\n0.165624 0.165625 0.768969 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Pb"
],
"chemical_system": "Ba-Cd-Pb",
"density": 7.456289926626416,
"density_atomic": 0.02948069158246752,
"volume": 203.5230409441366,
"volume_molar": 20.427406674480565,
"formula_full": "Ba2 Cd2 Pb2",
"formula_reduced": "BaCdPb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-10555",
"created_at": "2022-09-04T14:36:37.443627Z",
"updated_at": "2022-09-04T14:36:37.443642Z",
"structure_string": "Na4 Nb2 F12\n1.0\n5.065985 -0.000000 0.000000\n0.000000 5.065985 0.000000\n0.000000 0.000000 10.298703\nNa Nb F\n4 2 12\ndirect\n0.000000 0.000000 0.334382 Na\n0.500000 0.500000 0.834382 Na\n0.000000 0.000000 0.665618 Na\n0.500000 0.500000 0.165618 Na\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Nb\n0.721300 0.721300 0.000000 F\n0.778701 0.221300 0.500000 F\n0.221300 0.778701 0.500000 F\n0.278701 0.278701 0.000000 F\n0.813231 0.186769 0.851379 F\n0.686770 0.686770 0.351379 F\n0.186769 0.813231 0.148621 F\n0.313231 0.313231 0.351379 F\n0.313231 0.313231 0.648621 F\n0.686770 0.686770 0.648621 F\n0.813231 0.186769 0.148621 F\n0.186769 0.813231 0.851379 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Na",
"Nb",
"F"
],
"chemical_system": "F-Na-Nb",
"density": 3.177437036643524,
"density_atomic": 0.06810236157378262,
"volume": 264.3080149357033,
"volume_molar": 8.84277816632771,
"formula_full": "Na4 Nb2 F12",
"formula_reduced": "Na2NbF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0815432327777775,
"spacegroup": 136
},
{
"id": "jvasp-105549",
"created_at": "2022-09-04T14:36:55.764783Z",
"updated_at": "2022-09-04T14:36:55.764810Z",
"structure_string": "Bi1 As1 Pd6\n1.0\n4.364053 -0.009648 6.561232\n1.975605 3.891277 6.561232\n-0.015758 -0.009648 7.880004\nBi As Pd\n1 1 6\ndirect\n0.499999 0.500000 0.500000 Bi\n0.000000 0.000000 0.000000 As\n0.633464 0.633465 0.633465 Pd\n0.113493 0.113493 0.113493 Pd\n0.886505 0.886507 0.886508 Pd\n0.366534 0.366535 0.366535 Pd\n0.243902 0.243903 0.243903 Pd\n0.756095 0.756097 0.756098 Pd\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Bi",
"As",
"Pd"
],
"chemical_system": "As-Bi-Pd",
"density": 11.386467765046628,
"density_atomic": 0.059470317632502295,
"volume": 134.52088904983017,
"volume_molar": 10.126296612730249,
"formula_full": "Bi1 As1 Pd6",
"formula_reduced": "BiAsPd6",
"formula_anonymous": "ABC6",
"energy_above_hull": 1.89761128125,
"spacegroup": 166
},
{
"id": "jvasp-105546",
"created_at": "2022-09-04T14:36:56.805011Z",
"updated_at": "2022-09-04T14:36:56.805030Z",
"structure_string": "Be1 Zn1 S2\n1.0\n3.495317 0.005168 5.299417\n1.594121 3.110635 5.299417\n0.008441 0.005168 6.348307\nBe Zn S\n1 1 2\ndirect\n0.500439 0.500439 0.500440 Be\n0.001506 0.001506 0.001506 Zn\n0.131407 0.131407 0.131407 S\n0.616650 0.616649 0.616651 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Zn",
"S"
],
"chemical_system": "Be-S-Zn",
"density": 3.345024020753773,
"density_atomic": 0.05815671931408508,
"volume": 68.7796706412776,
"volume_molar": 10.355021450705332,
"formula_full": "Be1 Zn1 S2",
"formula_reduced": "BeZnS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.753456625,
"spacegroup": 160
},
{
"id": "jvasp-105541",
"created_at": "2022-09-04T14:38:44.691738Z",
"updated_at": "2022-09-04T14:38:44.691768Z",
"structure_string": "Ce4 Si2 Ge2\n1.0\n3.992195 0.000000 0.000000\n0.000000 5.888667 0.000000\n0.000000 -0.000000 8.240887\nCe Si Ge\n4 2 2\ndirect\n-0.000000 0.130650 0.682292 Ce\n-0.000000 0.869351 0.182292 Ce\n0.500001 0.364251 0.318702 Ce\n0.500001 0.635749 0.818702 Ce\n0.500001 0.883340 0.462850 Si\n0.500001 0.116661 0.962850 Si\n-0.000000 0.617968 0.536156 Ge\n-0.000000 0.382032 0.036156 Ge\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Si",
"Ge"
],
"chemical_system": "Ce-Ge-Si",
"density": 6.530597530279446,
"density_atomic": 0.041294031578684935,
"volume": 193.7325975245639,
"volume_molar": 14.583562151166891,
"formula_full": "Ce4 Si2 Ge2",
"formula_reduced": "Ce2SiGe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8958363875,
"spacegroup": 26
},
{
"id": "jvasp-10554",
"created_at": "2022-09-04T14:37:01.301860Z",
"updated_at": "2022-09-04T14:37:01.301880Z",
"structure_string": "Sb2 P2 O10\n1.0\n5.096677 -0.013373 -1.493411\n-1.374557 4.907839 -1.493411\n0.002852 0.003750 7.104310\nSb P O\n2 2 10\ndirect\n-0.000000 0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.332933 0.667067 0.250000 P\n0.667067 0.332933 0.750000 P\n0.260580 0.375475 0.093354 O\n0.624525 0.739420 0.406646 O\n0.739420 0.624526 0.906646 O\n0.375475 0.260580 0.593354 O\n0.095877 0.904123 0.750000 O\n0.904123 0.095878 0.250000 O\n0.128514 0.681433 0.368895 O\n0.318567 0.871486 0.131105 O\n0.871486 0.318568 0.631105 O\n0.681433 0.128515 0.868895 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sb",
"P",
"O"
],
"chemical_system": "O-P-Sb",
"density": 4.351239188525558,
"density_atomic": 0.07881485997089283,
"volume": 177.63147717537467,
"volume_molar": 7.640869706834525,
"formula_full": "Sb2 P2 O10",
"formula_reduced": "SbPO5",
"formula_anonymous": "ABC5",
"energy_above_hull": 2.450439871428572,
"spacegroup": 15
},
{
"id": "jvasp-105539",
"created_at": "2022-09-04T14:36:58.131347Z",
"updated_at": "2022-09-04T14:36:58.131367Z",
"structure_string": "Ce2 Fe1 Ru3\n1.0\n4.617859 -0.008293 2.102627\n1.349662 4.416232 2.102627\n-0.011227 -0.008293 5.074006\nCe Fe Ru\n2 1 3\ndirect\n0.627593 0.627594 0.627595 Ce\n0.372406 0.372407 0.372407 Ce\n0.000000 0.000000 0.000000 Fe\n-0.000000 0.500000 0.000000 Ru\n0.500000 0.000000 0.000000 Ru\n-0.000000 0.000000 0.500000 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Fe",
"Ru"
],
"chemical_system": "Ce-Fe-Ru",
"density": 10.237325481466405,
"density_atomic": 0.05786191342226318,
"volume": 103.69515360152982,
"volume_molar": 10.407780185303894,
"formula_full": "Ce2 Fe1 Ru3",
"formula_reduced": "Ce2FeRu3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.889026333333333,
"spacegroup": 166
},
{
"id": "jvasp-105538",
"created_at": "2022-09-04T14:38:46.542577Z",
"updated_at": "2022-09-04T14:38:46.542605Z",
"structure_string": "Ce2 Al3 Ga1 Pd4\n1.0\n4.360452 -0.000000 0.000000\n0.000000 4.360452 0.000000\n0.000000 0.000000 10.137842\nCe Al Ga Pd\n2 3 1 4\ndirect\n0.500000 0.000000 0.251361 Ce\n-0.000000 0.500000 0.748639 Ce\n0.000000 0.000000 0.500000 Al\n0.500000 0.000000 0.876951 Al\n-0.000000 0.500000 0.123049 Al\n0.500000 0.500000 0.500000 Ga\n0.500000 0.500000 -0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n0.500000 0.000000 0.633112 Pd\n-0.000000 0.500000 0.366887 Pd\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ce",
"Al",
"Ga",
"Pd"
],
"chemical_system": "Al-Ce-Ga-Pd",
"density": 7.379183225253233,
"density_atomic": 0.051878983893586535,
"volume": 192.75628105037416,
"volume_molar": 11.608054568594738,
"formula_full": "Ce2 Al3 Ga1 Pd4",
"formula_reduced": "Ce2Al3GaPd4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 1.7910604525,
"spacegroup": 115
},
{
"id": "jvasp-105537",
"created_at": "2022-09-04T14:36:56.590664Z",
"updated_at": "2022-09-04T14:36:56.590688Z",
"structure_string": "Ce2 Zr1 O6\n1.0\n3.797248 0.000000 0.000000\n-1.898624 3.288513 0.000000\n-0.000000 -0.000000 9.184015\nCe Zr O\n2 1 6\ndirect\n0.333334 0.666666 0.675198 Ce\n0.666667 0.333333 0.324802 Ce\n0.000000 0.000000 0.000000 Zr\n0.666667 0.333333 0.069884 O\n0.000000 0.000000 0.765364 O\n0.333334 0.666666 0.412539 O\n0.333334 0.666666 0.930117 O\n0.666667 0.333333 0.587462 O\n0.000000 0.000000 0.234637 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ce",
"Zr",
"O"
],
"chemical_system": "Ce-O-Zr",
"density": 6.768390105330509,
"density_atomic": 0.07847682063944834,
"volume": 114.68354511135641,
"volume_molar": 7.673782794626646,
"formula_full": "Ce2 Zr1 O6",
"formula_reduced": "Ce2ZrO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.6329162777777784,
"spacegroup": 164
},
{
"id": "jvasp-105536",
"created_at": "2022-09-04T14:36:55.513107Z",
"updated_at": "2022-09-04T14:36:55.513128Z",
"structure_string": "Ce2 Co1 Ru3\n1.0\n4.553125 -0.040718 2.537084\n1.471904 4.308840 2.537084\n-0.057479 -0.040718 5.211952\nCe Co Ru\n2 1 3\ndirect\n0.624826 0.624827 0.624827 Ce\n0.375172 0.375172 0.375172 Ce\n0.000000 0.000000 0.000000 Co\n-0.000000 0.500000 -0.000000 Ru\n0.500000 -0.000000 -0.000000 Ru\n-0.000000 -0.000000 0.500000 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Co",
"Ru"
],
"chemical_system": "Ce-Co-Ru",
"density": 10.304520161595395,
"density_atomic": 0.05796170653709353,
"volume": 103.51662086001907,
"volume_molar": 10.389861030309786,
"formula_full": "Ce2 Co1 Ru3",
"formula_reduced": "Ce2CoRu3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.8542089,
"spacegroup": 166
}
]
}