Hf2AlH7
Alexandria ALEXAlex-ID: agm006208552 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_877_spg1
Hf4H15 HfAl3 AlH3
2024-02-07 01:06:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006208552).
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 agm006208552
data_agm006208552
_cell_length_a 5.40167
_cell_length_b 5.51868
_cell_length_c 3.35128
_cell_angle_alpha 112.85176
_cell_angle_beta 71.46752
_cell_angle_gamma 109.05360
_cell_volume 84.89791
_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
H1 H 0.77244 0.56629 0.39401 1.00000
H2 H 0.31177 0.89518 0.35566 1.00000
H3 H 0.62196 0.30669 0.79419 1.00000
H4 H 0.87636 0.09852 0.18363 1.00000
H5 H 0.55104 0.88119 0.71377 1.00000
H6 H 0.23260 0.46175 0.25109 1.00000
H7 H 0.01053 0.71196 0.86878 1.00000
Hf1 Hf 0.25994 0.08679 0.00840 1.00000
Hf2 Hf 0.61721 0.68651 0.05289 1.00000
Al1 Al 0.97855 0.36251 0.84574 1.00000
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