UAl(NiH4)2
Alexandria ALEXAlex-ID: agm007487194 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_186_spg1
U4H15 U(NiH3)2 H2 AlNi
2025-05-27 06:34:40
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007487194).
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 agm007487194
data_agm007487194
_cell_length_a 4.21631
_cell_length_b 4.21556
_cell_length_c 6.63469
_cell_angle_alpha 89.97702
_cell_angle_beta 108.47586
_cell_angle_gamma 120.00524
_cell_volume 95.04694
_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 0.00000 0.50000 0.50000 1.00000
Al1 Al 0.00000 0.00000 0.00000 1.00000
Ni1 Ni 0.49059 0.24452 0.73628 1.00000
Ni2 Ni 0.50941 0.75548 0.26372 1.00000
H1 H 0.32217 0.16139 0.48325 1.00000
H2 H 0.52430 0.90414 0.82164 1.00000
H3 H 0.67783 0.83861 0.51675 1.00000
H4 H 0.20154 0.29647 0.82128 1.00000
H5 H 0.79846 0.70353 0.17872 1.00000
H6 H 0.91585 0.61901 0.82170 1.00000
H7 H 0.08415 0.38099 0.17830 1.00000
H8 H 0.47570 0.09586 0.17836 1.00000
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