Hf4ZrRe
Alexandria ALEXAlex-ID: agm003752159 · Space group: P4/mmm (#123)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_169_spg123
Hf7Re2 HfZr2
2022-04-19 12:11:51.511867
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003752159).
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 agm003752159
data_agm003752159
_cell_length_a 4.48172
_cell_length_b 4.48148
_cell_length_c 7.26026
_cell_angle_alpha 89.99921
_cell_angle_beta 89.99992
_cell_angle_gamma 90.00062
_cell_volume 145.82031
_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 0.50128 0.99728 0.27861 1.00000
Hf2 Hf 0.50131 0.99730 0.71768 1.00000
Hf3 Hf 0.00131 0.49730 0.71768 1.00000
Hf4 Hf 0.00129 0.49729 0.27860 1.00000
Zr1 Zr 0.50131 0.49727 0.99813 1.00000
Re1 Re 0.00129 0.99729 0.49813 1.00000
