Pu3Cu2H
Alexandria ALEXAlex-ID: agm006425834 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_4587_spg2
PuCu2 Pu2H5 Pu
2024-03-04 09:50:05.047169
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006425834).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm006425834
data_agm006425834
_cell_length_a 5.95985
_cell_length_b 5.66044
_cell_length_c 7.99378
_cell_angle_alpha 81.43495
_cell_angle_beta 63.38465
_cell_angle_gamma 78.41880
_cell_volume 235.65193
_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 0.74872 0.48949 0.25126 1.00000
Pu2 Pu 0.25128 0.51051 0.74874 1.00000
Pu3 Pu 0.20468 0.94051 0.06772 1.00000
Pu4 Pu 0.29529 0.05795 0.43087 1.00000
Pu5 Pu 0.70471 0.94205 0.56913 1.00000
Pu6 Pu 0.79532 0.05949 0.93228 1.00000
Cu1 Cu 0.82268 0.40028 0.60875 1.00000
Cu2 Cu 0.32107 0.39968 0.10583 1.00000
Cu3 Cu 0.67893 0.60032 0.89417 1.00000
Cu4 Cu 0.17732 0.59972 0.39125 1.00000
H1 H 0.25038 0.95212 0.74970 1.00000
H2 H 0.74962 0.04788 0.25030 1.00000
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