Pu5HRh4
Alexandria ALEXAlex-ID: agm006496293 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_179_spg79
Pu2H5 Pu PuRh
2024-03-04 10:52:09.344573
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006496293).
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 agm006496293
data_agm006496293
_cell_length_a 4.89257
_cell_length_b 5.94178
_cell_length_c 7.19641
_cell_angle_alpha 106.49150
_cell_angle_beta 103.42069
_cell_angle_gamma 94.93049
_cell_volume 192.51667
_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 0.18257 0.25652 0.36143 1.00000
Pu2 Pu 0.35288 0.11443 0.82082 1.00000
Pu3 Pu 0.63978 0.89850 0.18228 1.00000
Pu4 Pu 0.81167 0.73957 0.62853 1.00000
Pu5 Pu 0.00126 0.53447 0.00163 1.00000
H1 H 0.01552 0.94486 0.00680 1.00000
Rh1 Rh 0.24089 0.77838 0.41700 1.00000
Rh2 Rh 0.37909 0.57505 0.76918 1.00000
Rh3 Rh 0.61481 0.42530 0.21942 1.00000
Rh4 Rh 0.76152 0.22262 0.59291 1.00000
Get direct link