KU(AlH3)2
Alexandria ALEXAlex-ID: agm007707129 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_420_spg15
KAlH4 UAl2 UH3 Al
2024-02-08 02:25:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007707129).
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 agm007707129
data_agm007707129
_cell_length_a 6.33426
_cell_length_b 6.33426
_cell_length_c 5.81364
_cell_angle_alpha 79.38226
_cell_angle_beta 79.38226
_cell_angle_gamma 101.28782
_cell_volume 218.87895
_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
K1 K 0.55415 0.44585 0.25000 1.00000
K2 K 0.44585 0.55415 0.75000 1.00000
U1 U 0.13894 0.86106 0.25000 1.00000
U2 U 0.86106 0.13894 0.75000 1.00000
Al1 Al 0.97712 0.65921 0.81447 1.00000
Al2 Al 0.34079 0.02288 0.68553 1.00000
Al3 Al 0.02288 0.34079 0.18553 1.00000
Al4 Al 0.65921 0.97712 0.31447 1.00000
H1 H 0.55729 0.11407 0.08720 1.00000
H2 H 0.88593 0.44271 0.41280 1.00000
H3 H 0.44271 0.88593 0.91280 1.00000
H4 H 0.11407 0.55729 0.58720 1.00000
H5 H 0.82120 0.85226 0.08932 1.00000
H6 H 0.14774 0.17880 0.41068 1.00000
H7 H 0.17880 0.14774 0.91068 1.00000
H8 H 0.85226 0.82120 0.58932 1.00000
H9 H 0.43627 0.76029 0.32954 1.00000
H10 H 0.23971 0.56373 0.17046 1.00000
H11 H 0.56373 0.23971 0.67046 1.00000
H12 H 0.76029 0.43627 0.82954 1.00000
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