YAl(CuH4)2
Alexandria ALEXAlex-ID: agm007304065 · Space group: P-3 (#147)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_25_spg164
AlCu3 AlH9 YH3 CuH4
2024-08-14 07:17:22.021053
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007304065).
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 agm007304065
data_agm007304065
_cell_length_a 4.38895
_cell_length_b 4.39125
_cell_length_c 6.37149
_cell_angle_alpha 90.02569
_cell_angle_beta 90.02233
_cell_angle_gamma 119.98925
_cell_volume 106.35727
_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
Y1 Y 0.00000 0.00000 0.50000 1.00000
Al1 Al 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.33229 0.66555 0.24005 1.00000
Cu2 Cu 0.66771 0.33445 0.75995 1.00000
H1 H 0.01706 0.70526 0.81675 1.00000
H2 H 0.29592 0.31113 0.81722 1.00000
H3 H 0.68932 0.98484 0.81648 1.00000
H4 H 0.98294 0.29474 0.18325 1.00000
H5 H 0.70408 0.68887 0.18278 1.00000
H6 H 0.31068 0.01516 0.18352 1.00000
H7 H 0.33339 0.66660 0.49260 1.00000
H8 H 0.66661 0.33340 0.50740 1.00000
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