Hf4CuIr
Alexandria ALEXAlex-ID: agm069603692 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_634_spg8
Hf2Cu Hf2Ir
2025-04-16 00:23:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm069603692).
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 agm069603692
data_agm069603692
_cell_length_a 5.93064
_cell_length_b 5.93064
_cell_length_c 6.46300
_cell_angle_alpha 74.05229
_cell_angle_beta 105.94771
_cell_angle_gamma 148.61338
_cell_volume 113.46652
_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 0.34352 0.65648 0.67159 1.00000
Hf2 Hf 0.34558 0.65442 0.17364 1.00000
Hf3 Hf 0.65648 0.34352 0.32841 1.00000
Hf4 Hf 0.65442 0.34558 0.82636 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
Ir1 Ir 0.00000 0.00000 0.50000 1.00000
