Pu5In5H2
Alexandria ALEXAlex-ID: agm006354029 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_25_spg12
Pu2H5 PuIn PuIn3
2024-02-24 00:25:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006354029).
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 agm006354029
data_agm006354029
_cell_length_a 5.70556
_cell_length_b 5.70556
_cell_length_c 11.81747
_cell_angle_alpha 85.87634
_cell_angle_beta 85.87634
_cell_angle_gamma 44.30231
_cell_volume 267.87960
_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 0.10819 0.10819 0.30118 1.00000
Pu2 Pu 0.61248 0.61248 0.78962 1.00000
Pu3 Pu 0.38752 0.38752 0.21038 1.00000
Pu4 Pu 0.89181 0.89181 0.69882 1.00000
Pu5 Pu 0.00000 0.00000 0.00000 1.00000
In1 In 0.50000 0.50000 0.50000 1.00000
In2 In 0.69499 0.69499 0.09001 1.00000
In3 In 0.80504 0.80504 0.41555 1.00000
In4 In 0.19496 0.19496 0.58445 1.00000
In5 In 0.30501 0.30501 0.90999 1.00000
H1 H 0.04690 0.04690 0.81413 1.00000
H2 H 0.95310 0.95310 0.18587 1.00000
Get direct link