Pu2Pt2Au
Alexandria ALEXAlex-ID: agm045550734 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_14_spg70
PuPt PuAu2 PuPt2
2025-02-06 10:33:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045550734).
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 agm045550734
data_agm045550734
_cell_length_a 5.64680
_cell_length_b 5.64680
_cell_length_c 8.18247
_cell_angle_alpha 75.34868
_cell_angle_beta 104.65132
_cell_angle_gamma 120.69629
_cell_volume 214.63924
_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 0.50798 0.19995 0.65171 1.00000
Pu2 Pu 0.19995 0.50798 0.84829 1.00000
Pu3 Pu 0.49202 0.80005 0.34829 1.00000
Pu4 Pu 0.80005 0.49202 0.15171 1.00000
Pt1 Pt 0.26199 0.99931 0.99565 1.00000
Pt2 Pt 0.99931 0.26199 0.50435 1.00000
Pt3 Pt 0.73801 0.00069 0.00435 1.00000
Pt4 Pt 0.00069 0.73801 0.49565 1.00000
Au1 Au 0.77955 0.77955 0.75000 1.00000
Au2 Au 0.22045 0.22045 0.25000 1.00000
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