Pu2H5I2
Alexandria ALEXAlex-ID: agm007291007 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_585_spg2
H9I PuHI2 PuH3
2024-06-24 12:11:10.355697
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007291007).
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 agm007291007
data_agm007291007
_cell_length_a 6.02352
_cell_length_b 6.02352
_cell_length_c 8.51128
_cell_angle_alpha 56.49874
_cell_angle_beta 56.49874
_cell_angle_gamma 37.32020
_cell_volume 152.17066
_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 0.09306 0.09306 0.19762 1.00000
Pu2 Pu 0.90694 0.90694 0.80238 1.00000
H1 H 0.50349 0.50349 0.68296 1.00000
H2 H 0.49651 0.49651 0.31704 1.00000
H3 H 0.32310 0.32310 0.96551 1.00000
H4 H 0.67690 0.67690 0.03449 1.00000
H5 H 0.00000 0.00000 0.50000 1.00000
I1 I 0.79060 0.79060 0.25792 1.00000
I2 I 0.20940 0.20940 0.74208 1.00000
Get direct link