HfAl2CrH8
Alexandria ALEXAlex-ID: agm007489533 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1143_spg2
AlCrH AlH3 Hf4H15 CrH
2024-02-09 02:21:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007489533).
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 agm007489533
data_agm007489533
_cell_length_a 4.03908
_cell_length_b 4.89016
_cell_length_c 5.15034
_cell_angle_alpha 74.67613
_cell_angle_beta 71.09585
_cell_angle_gamma 70.56136
_cell_volume 89.34893
_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
Hf1 Hf 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.14866 0.22722 0.39204 1.00000
Al2 Al 0.85134 0.77278 0.60796 1.00000
Cr1 Cr 0.50000 0.50000 0.50000 1.00000
H1 H 0.38096 0.15994 0.06937 1.00000
H2 H 0.64384 0.81490 0.34033 1.00000
H3 H 0.61904 0.84006 0.93063 1.00000
H4 H 0.73287 0.39501 0.75370 1.00000
H5 H 0.26713 0.60499 0.24630 1.00000
H6 H 0.21370 0.60889 0.81540 1.00000
H7 H 0.78630 0.39111 0.18460 1.00000
H8 H 0.35616 0.18510 0.65967 1.00000
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