Hf5(Zr2Cd)2
Alexandria ALEXAlex-ID: agm005669876 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_1126_spg12
HfZr2Cd Hf
2023-06-22 22:23:29.653122
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005669876).
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 agm005669876
data_agm005669876
_cell_length_a 3.14722
_cell_length_b 11.57884
_cell_length_c 13.67686
_cell_angle_alpha 146.41929
_cell_angle_beta 69.90933
_cell_angle_gamma 114.14994
_cell_volume 251.54010
_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 0.42844 0.04186 0.42293 1.00000
Hf2 Hf 0.57156 0.95814 0.57707 1.00000
Hf3 Hf 0.86662 0.25804 0.34803 1.00000
Hf4 Hf 0.50000 0.00000 0.00000 1.00000
Hf5 Hf 0.13338 0.74196 0.65197 1.00000
Zr1 Zr 0.79003 0.51413 0.31699 1.00000
Zr2 Zr 0.09190 0.83481 0.10279 1.00000
Zr3 Zr 0.20997 0.48587 0.68301 1.00000
Zr4 Zr 0.90810 0.16519 0.89721 1.00000
Cd1 Cd 0.66007 0.60519 0.16603 1.00000
Cd2 Cd 0.33993 0.39481 0.83397 1.00000
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