Pu4SiAs2H
Alexandria ALEXAlex-ID: agm007457599 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_128_spg63
Pu3Si Pu4As3 Pu2H5 PuSiH
2024-07-10 03:53:10.484988
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007457599).
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 agm007457599
data_agm007457599
_cell_length_a 6.82938
_cell_length_b 6.82938
_cell_length_c 13.61459
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 144.72856
_cell_volume 366.67567
_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 0.21937 0.78063 0.13734 1.00000
Pu2 Pu 0.78063 0.21937 0.63734 1.00000
Pu3 Pu 0.78063 0.21937 0.86266 1.00000
Pu4 Pu 0.21937 0.78063 0.36266 1.00000
Pu5 Pu 0.50000 0.50000 0.50000 1.00000
Pu6 Pu 0.50000 0.50000 0.00000 1.00000
Pu7 Pu 0.05622 0.94378 0.75000 1.00000
Pu8 Pu 0.94378 0.05622 0.25000 1.00000
Si1 Si 0.39572 0.60428 0.75000 1.00000
Si2 Si 0.60428 0.39572 0.25000 1.00000
As1 As 0.14336 0.85664 0.55833 1.00000
As2 As 0.85664 0.14336 0.05833 1.00000
As3 As 0.85664 0.14336 0.44167 1.00000
As4 As 0.14336 0.85664 0.94167 1.00000
H1 H 0.64540 0.35460 0.75000 1.00000
H2 H 0.35460 0.64540 0.25000 1.00000
Get direct link