Pu4As3H2
Alexandria ALEXAlex-ID: agm006356980 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_28_spg12
Pu2AsH3 Pu4As3 PuAs
2024-02-23 18:10:35
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006356980).
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 agm006356980
data_agm006356980
_cell_length_a 5.83795
_cell_length_b 5.83795
_cell_length_c 8.27694
_cell_angle_alpha 66.70863
_cell_angle_beta 66.70863
_cell_angle_gamma 41.98990
_cell_volume 170.95827
_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 0.30248 0.30248 0.09385 1.00000
Pu2 Pu 0.69752 0.69752 0.90615 1.00000
Pu3 Pu 0.10305 0.10305 0.60804 1.00000
Pu4 Pu 0.89695 0.89695 0.39196 1.00000
As1 As 0.37189 0.37189 0.68729 1.00000
As2 As 0.00000 0.00000 0.00000 1.00000
As3 As 0.62811 0.62811 0.31271 1.00000
H1 H 0.31727 0.31727 0.36245 1.00000
H2 H 0.68273 0.68273 0.63755 1.00000
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