Hf3Ga3Cu
Alexandria ALEXAlex-ID: agm005937331 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_609_spg12
HfGaCu HfGa
2023-08-04 22:27:44.263832
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005937331).
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 agm005937331
data_agm005937331
_cell_length_a 3.99595
_cell_length_b 5.40401
_cell_length_c 12.56480
_cell_angle_alpha 83.61415
_cell_angle_beta 80.85035
_cell_angle_gamma 68.30155
_cell_volume 248.48636
_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 0.52277 0.32999 0.62446 1.00000
Hf2 Hf 0.47723 0.67001 0.37554 1.00000
Hf3 Hf 0.26030 0.25528 0.22412 1.00000
Hf4 Hf 0.73970 0.74472 0.77588 1.00000
Hf5 Hf 0.39430 0.29048 0.92091 1.00000
Hf6 Hf 0.60570 0.70952 0.07909 1.00000
Ga1 Ga 0.86566 0.72401 0.54466 1.00000
Ga2 Ga 0.13434 0.27599 0.45534 1.00000
Ga3 Ga 0.11752 0.83885 0.92610 1.00000
Ga4 Ga 0.88248 0.16115 0.07390 1.00000
Ga5 Ga 0.97709 0.81544 0.23038 1.00000
Ga6 Ga 0.02291 0.18456 0.76962 1.00000
Cu1 Cu 0.76317 0.08377 0.38989 1.00000
Cu2 Cu 0.23683 0.91623 0.61011 1.00000
Get direct link