HfGaSb
Alexandria ALEXAlex-ID: agm069755446 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_25_spg12
HfGa2 Hf2GaSb3
2024-09-13 15:46:32.956120
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm069755446).
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 agm069755446
data_agm069755446
_cell_length_a 8.93471
_cell_length_b 8.93471
_cell_length_c 8.93471
_cell_angle_alpha 155.01610
_cell_angle_beta 155.01610
_cell_angle_gamma 35.62438
_cell_volume 127.08391
_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 0.12344 0.12344 0.00000 1.00000
Hf2 Hf 0.87656 0.87656 0.00000 1.00000
Ga1 Ga 0.50000 0.00000 0.50000 1.00000
Ga2 Ga 0.00000 0.50000 0.50000 1.00000
Sb1 Sb 0.69156 0.69156 0.00000 1.00000
Sb2 Sb 0.30844 0.30844 0.00000 1.00000
