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"results": [
{
"id": "jvasp-104606",
"created_at": "2022-09-04T14:36:56.277612Z",
"updated_at": "2022-09-04T14:36:56.277636Z",
"structure_string": "Pu1 Ga1 O3\n1.0\n3.861882 0.000000 0.000000\n0.000000 3.861882 0.000000\n0.000000 0.000000 3.861882\nPu Ga O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Ga\n0.500000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n",
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"volume": 57.596620163745825,
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"formula_full": "Pu1 Ga1 O3",
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{
"id": "jvasp-90106",
"created_at": "2022-09-04T14:35:45.259101Z",
"updated_at": "2022-09-04T14:35:45.259127Z",
"structure_string": "Pu3 Ga3 Ni3\n1.0\n0.000000 0.000000 -4.408108\n-3.186364 -5.518947 0.000000\n-2.945838 5.380078 0.000000\nPu Ga Ni\n3 3 3\ndirect\n0.500000 0.505416 -0.000001 Pu\n0.500000 0.443071 0.349835 Pu\n0.500000 0.093236 0.650165 Pu\n0.000000 0.233304 -0.000000 Ga\n0.000000 0.756169 0.754892 Ga\n0.000000 0.001277 0.245108 Ga\n0.000000 0.350795 0.654863 Ni\n0.000000 0.695932 0.345137 Ni\n0.500000 0.920701 -0.000001 Ni\n",
"nsites": 9,
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"elements": [
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"chemical_system": "Ga-Ni-Pu",
"density": 12.60056201419366,
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"volume": 147.23438062824513,
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"formula_full": "Pu3 Ga3 Ni3",
"formula_reduced": "PuGaNi",
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{
"id": "jvasp-108693",
"created_at": "2022-09-04T14:38:17.923610Z",
"updated_at": "2022-09-04T14:38:17.923621Z",
"structure_string": "Pu1 Ga5 Co1\n1.0\n4.199414 -0.000000 0.000000\n0.000000 4.199414 0.000000\n-0.000000 -0.000000 6.700899\nPu Ga Co\n1 5 1\ndirect\n0.000000 0.000000 0.000000 Pu\n-0.000000 0.500000 0.305109 Ga\n-0.000000 0.500000 0.694891 Ga\n0.500000 0.000000 0.305109 Ga\n0.500000 0.000000 0.694891 Ga\n0.500000 0.500000 -0.000000 Ga\n0.000000 0.000000 0.500000 Co\n",
"nsites": 7,
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"elements": [
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"chemical_system": "Co-Ga-Pu",
"density": 9.155565793923328,
"density_atomic": 0.05923625370069654,
"volume": 118.1708761558243,
"volume_molar": 10.166309284898595,
"formula_full": "Pu1 Ga5 Co1",
"formula_reduced": "PuGa5Co",
"formula_anonymous": "ABC5",
"energy_above_hull": 1.4384432178571425,
"spacegroup": 123
},
{
"id": "jvasp-17624",
"created_at": "2022-09-04T14:38:14.300579Z",
"updated_at": "2022-09-04T14:38:14.300608Z",
"structure_string": "Pu1 Fe2 Si2\n1.0\n3.714261 -0.000000 -1.373810\n-0.508137 3.679338 -1.373810\n-0.057091 -0.065517 5.553529\nPu Fe Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pu\n0.250000 0.750000 0.500000 Fe\n0.750000 0.250000 0.500000 Fe\n0.633057 0.633058 0.266115 Si\n0.366942 0.366942 0.733885 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Fe",
"Si"
],
"chemical_system": "Fe-Pu-Si",
"density": 9.091419203470906,
"density_atomic": 0.06646636385866743,
"volume": 75.22601974484247,
"volume_molar": 9.060433594359614,
"formula_full": "Pu1 Fe2 Si2",
"formula_reduced": "Pu(FeSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.38165764,
"spacegroup": 139
},
{
"id": "jvasp-14087",
"created_at": "2022-09-04T14:38:01.965328Z",
"updated_at": "2022-09-04T14:38:01.965356Z",
"structure_string": "Pu1 Fe2 Si2\n1.0\n3.695318 -0.000000 -1.366804\n-0.505546 3.660573 -1.366804\n-0.082713 -0.094921 5.455146\nPu Fe Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pu\n0.250000 0.750000 0.500001 Fe\n0.750001 0.250000 0.500001 Fe\n0.630026 0.630026 0.260054 Si\n0.369974 0.369974 0.739949 Si\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Fe-Pu-Si",
"density": 9.390153992756375,
"density_atomic": 0.06865038098047276,
"volume": 72.83280775123774,
"volume_molar": 8.772188404479456,
"formula_full": "Pu1 Fe2 Si2",
"formula_reduced": "Pu(FeSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.38332164,
"spacegroup": 139
},
{
"id": "jvasp-91704",
"created_at": "2022-09-04T14:36:04.664440Z",
"updated_at": "2022-09-04T14:36:04.664468Z",
"structure_string": "Pu2 Fe2 C4\n1.0\n3.527506 0.000000 0.000000\n-0.000000 3.527506 -0.000000\n0.000000 0.000000 7.257915\nPu Fe C\n2 2 4\ndirect\n0.750001 0.750001 0.672607 Pu\n0.250000 0.250000 0.327394 Pu\n0.750001 0.250000 0.000000 Fe\n0.250000 0.750001 0.000000 Fe\n0.750001 0.750001 0.145696 C\n0.250000 0.250000 0.854304 C\n0.750001 0.750001 0.348832 C\n0.250000 0.250000 0.651168 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"C"
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"chemical_system": "C-Fe-Pu",
"density": 11.909611287757656,
"density_atomic": 0.08858140961402214,
"volume": 90.31240341352196,
"volume_molar": 6.798425071626672,
"formula_full": "Pu2 Fe2 C4",
"formula_reduced": "PuFeC2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.802783874999999,
"spacegroup": 129
},
{
"id": "jvasp-17522",
"created_at": "2022-09-04T14:38:28.748482Z",
"updated_at": "2022-09-04T14:38:28.748494Z",
"structure_string": "Pu1 Cr2 Si2\n1.0\n3.503487 -0.000000 -1.207561\n-0.416215 3.478675 -1.207561\n0.133204 0.150091 6.072561\nPu Cr Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pu\n0.249999 0.749999 0.500000 Cr\n0.750000 0.249999 0.500000 Cr\n0.608948 0.608948 0.217899 Si\n0.391050 0.391050 0.782101 Si\n",
"nsites": 5,
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"elements": [
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"Cr",
"Si"
],
"chemical_system": "Cr-Pu-Si",
"density": 8.915187561364675,
"density_atomic": 0.06641935041945037,
"volume": 75.27926678632181,
"volume_molar": 9.066846817936456,
"formula_full": "Pu1 Cr2 Si2",
"formula_reduced": "Pu(CrSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 5.080452399999999,
"spacegroup": 139
},
{
"id": "jvasp-37119",
"created_at": "2022-09-04T14:38:01.426951Z",
"updated_at": "2022-09-04T14:38:01.426968Z",
"structure_string": "Pu1 Co1 C2\n1.0\n-3.609904 0.000000 0.000000\n0.000000 -2.262790 -2.997210\n0.000000 -2.262790 2.997210\nPu Co C\n1 1 2\ndirect\n0.000000 0.002120 0.997880 Pu\n0.500000 0.389146 0.610854 Co\n0.500000 0.850407 0.456673 C\n0.500000 0.543327 0.149593 C\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "C-Co-Pu",
"density": 11.087904347438823,
"density_atomic": 0.0816907567691689,
"volume": 48.965148055889344,
"volume_molar": 7.371875348170149,
"formula_full": "Pu1 Co1 C2",
"formula_reduced": "PuCoC2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.755502725,
"spacegroup": 38
},
{
"id": "jvasp-18480",
"created_at": "2022-09-04T14:36:43.996944Z",
"updated_at": "2022-09-04T14:36:43.996969Z",
"structure_string": "Pu2 Cl2 O2\n1.0\n3.979441 0.000000 -0.000000\n0.000000 3.979441 0.000000\n-0.000000 0.000000 6.782790\nPu Cl O\n2 2 2\ndirect\n0.000000 0.500000 0.824306 Pu\n0.500000 0.000000 0.175694 Pu\n0.500000 0.000000 0.629989 Cl\n0.000000 0.500000 0.370011 Cl\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Cl-O-Pu",
"density": 9.135116784273311,
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"volume": 107.41192786179741,
"volume_molar": 10.780829148111831,
"formula_full": "Pu2 Cl2 O2",
"formula_reduced": "PuClO",
"formula_anonymous": "ABC",
"energy_above_hull": 2.1409091891666665,
"spacegroup": 129
},
{
"id": "jvasp-42012",
"created_at": "2022-09-04T14:37:39.285926Z",
"updated_at": "2022-09-04T14:37:39.285945Z",
"structure_string": "Pu1 Cd1 Rh2\n1.0\n-0.000831 3.288918 3.275232\n3.291349 -0.001581 3.275994\n3.292256 3.290588 -0.002471\nPu Cd Rh\n1 1 2\ndirect\n0.749999 0.749999 0.750002 Pu\n0.249999 0.250000 0.250001 Cd\n-0.000157 0.999574 1.000112 Rh\n0.500155 0.500425 0.499891 Rh\n",
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],
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"volume": 70.99739993169618,
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"formula_full": "Pu1 Cd1 Rh2",
"formula_reduced": "PuCdRh2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-18481",
"created_at": "2022-09-04T14:37:12.811342Z",
"updated_at": "2022-09-04T14:37:12.811362Z",
"structure_string": "Pu2 Br2 O2\n1.0\n3.961443 -0.000000 -0.000000\n-0.000000 3.961443 0.000000\n0.000000 -0.000000 7.803563\nPu Br O\n2 2 2\ndirect\n0.000000 0.500000 0.846396 Pu\n0.500000 0.000000 0.153604 Pu\n0.500000 0.000000 0.648861 Br\n0.000000 0.500000 0.351139 Br\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 6,
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"elements": [
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],
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"density": 9.217960404114063,
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"volume": 122.46155327772054,
"volume_molar": 12.291345192111208,
"formula_full": "Pu2 Br2 O2",
"formula_reduced": "PuBrO",
"formula_anonymous": "ABC",
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"spacegroup": 129
},
{
"id": "jvasp-93348",
"created_at": "2022-09-04T14:36:03.544968Z",
"updated_at": "2022-09-04T14:36:03.544979Z",
"structure_string": "Pu1 B2 Ru3\n1.0\n-0.000058 -0.000018 2.914915\n5.523503 -0.000041 -0.000055\n-2.761786 4.783409 0.000027\nPu B Ru\n1 2 3\ndirect\n0.000002 0.999999 0.000001 Pu\n0.000001 0.333334 0.666664 B\n1.000000 0.666666 0.333335 B\n0.500000 0.499999 0.500000 Ru\n0.500000 -0.000000 0.500000 Ru\n0.500001 0.499999 1.000000 Ru\n",
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],
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"density": 12.264701227173683,
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"volume": 77.01514621810973,
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"formula_full": "Pu1 B2 Ru3",
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"formula_anonymous": "AB2C3",
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}
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}