UAl2H6Se
Alexandria ALEXAlex-ID: agm007686401 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_790_spg2
UHSe AlH3 Al
2025-04-28 17:06:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007686401).
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
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# CIF generated by HEAS from Alexandria entry agm007686401
data_agm007686401
_cell_length_a 3.74031
_cell_length_b 5.98784
_cell_length_c 5.98699
_cell_angle_alpha 54.03681
_cell_angle_beta 73.44210
_cell_angle_gamma 73.43908
_cell_volume 102.82511
_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
U1 U 0.50000 0.50000 0.50000 1.00000
Al1 Al 0.42727 0.21295 0.21283 1.00000
Al2 Al 0.57273 0.78705 0.78717 1.00000
H1 H 0.30868 0.49697 0.88913 1.00000
H2 H 0.30904 0.88924 0.49658 1.00000
H3 H 0.88394 0.62443 0.62449 1.00000
H4 H 0.69132 0.50303 0.11087 1.00000
H5 H 0.69096 0.11076 0.50342 1.00000
H6 H 0.11606 0.37557 0.37551 1.00000
Se1 Se 0.00000 0.00000 0.00000 1.00000
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