Pu8SiH4
Alexandria ALEXAlex-ID: agm097335455 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_2117_spg6
Pu3Si Pu2H5 Pu
2025-06-16 01:20:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097335455).
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 agm097335455
data_agm097335455
_cell_length_a 3.78006
_cell_length_b 7.93457
_cell_length_c 7.95695
_cell_angle_alpha 59.22520
_cell_angle_beta 89.99210
_cell_angle_gamma 89.99351
_cell_volume 205.04799
_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 0.69230 0.18310 0.12403 1.00000
Pu2 Pu 0.69240 0.62802 0.29819 1.00000
Pu3 Pu 0.69233 0.68329 0.58249 1.00000
Pu4 Pu 0.69234 0.10292 0.67783 1.00000
Pu5 Pu 0.19233 0.89325 0.45046 1.00000
Pu6 Pu 0.19221 0.30091 0.24540 1.00000
Pu7 Pu 0.19230 0.42843 0.74328 1.00000
Pu8 Pu 0.69217 0.72477 0.88003 1.00000
Si1 Si 0.19236 0.94577 0.03088 1.00000
H1 H 0.69231 0.27550 0.81684 1.00000
H2 H 0.19219 0.54475 0.94514 1.00000
H3 H 0.19246 0.36667 0.48884 1.00000
H4 H 0.19230 0.92264 0.71659 1.00000
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