PuPaCu4
Alexandria ALEXAlex-ID: agm005826558 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1196_spg71
PaCu5 Pu Pa
2023-07-28 03:43:50.820639
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005826558).
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 agm005826558
data_agm005826558
_cell_length_a 4.46724
_cell_length_b 5.37515
_cell_length_c 5.37515
_cell_angle_alpha 91.79674
_cell_angle_beta 114.54608
_cell_angle_gamma 114.54608
_cell_volume 103.49979
_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 0.00000 0.50000 0.00000 1.00000
Pa1 Pa 0.50000 0.00000 0.50000 1.00000
Cu1 Cu 0.24519 0.41208 0.57832 1.00000
Cu2 Cu 0.24519 0.07832 0.91208 1.00000
Cu3 Cu 0.75481 0.92168 0.08792 1.00000
Cu4 Cu 0.75481 0.58792 0.42168 1.00000
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