Pu3Pd3Pt
Alexandria ALEXAlex-ID: agm005963671 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_599_spg44
PuPd2 Pu2PdPt
2023-08-06 14:04:06.877147
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005963671).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm005963671
data_agm005963671
_cell_length_a 4.40162
_cell_length_b 3.66525
_cell_length_c 9.98335
_cell_angle_alpha 100.57766
_cell_angle_beta 102.73535
_cell_angle_gamma 90.00000
_cell_volume 154.29207
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pu1 Pu 0.31138 0.81138 0.62275 1.00000
Pu2 Pu 0.68991 0.18991 0.37981 1.00000
Pu3 Pu 0.99581 0.99581 0.99161 1.00000
Pd1 Pd 0.15375 0.65375 0.30750 1.00000
Pd2 Pd 0.84647 0.34647 0.69294 1.00000
Pd3 Pd 0.57007 0.57007 0.14015 1.00000
Pt1 Pt 0.43262 0.43262 0.86523 1.00000
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