Pu2I5
Alexandria ALEXAlex-ID: agm010146751 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5_71_spg11
Pu2I5
2024-05-04 09:25:06.486815
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010146751).
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 agm010146751
data_agm010146751
_cell_length_a 4.36076
_cell_length_b 9.17706
_cell_length_c 15.07326
_cell_angle_alpha 93.88595
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 601.82857
_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 0.75000 0.93106 0.85219 1.00000
Pu2 Pu 0.25000 0.06894 0.14781 1.00000
Pu3 Pu 0.75000 0.40694 0.35933 1.00000
Pu4 Pu 0.25000 0.59306 0.64067 1.00000
I1 I 0.75000 0.18892 0.01677 1.00000
I2 I 0.25000 0.81108 0.98323 1.00000
I3 I 0.75000 0.57238 0.80287 1.00000
I4 I 0.25000 0.42762 0.19713 1.00000
I5 I 0.75000 0.85156 0.63012 1.00000
I6 I 0.25000 0.14844 0.36988 1.00000
I7 I 0.75000 0.35275 0.57041 1.00000
I8 I 0.25000 0.64725 0.42959 1.00000
I9 I 0.75000 0.85999 0.21315 1.00000
I10 I 0.25000 0.14001 0.78685 1.00000
Get direct link