Hf6ZrCo2
Alexandria ALEXAlex-ID: agm005706592 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_798_spg71
HfZr2 Hf2Co Hf
2023-07-06 21:47:14.408171
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005706592).
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 agm005706592
data_agm005706592
_cell_length_a 7.75640
_cell_length_b 7.75640
_cell_length_c 7.75640
_cell_angle_alpha 105.32202
_cell_angle_beta 116.62641
_cell_angle_gamma 106.71344
_cell_volume 354.92063
_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 0.49830 0.79954 0.69876 1.00000
Hf2 Hf 0.50170 0.20046 0.30124 1.00000
Hf3 Hf 0.10078 0.79954 0.30124 1.00000
Hf4 Hf 0.89922 0.20046 0.69876 1.00000
Hf5 Hf 0.78349 0.01237 0.22888 1.00000
Hf6 Hf 0.21651 0.98763 0.77112 1.00000
Hf7 Hf 0.21651 0.44539 0.22888 1.00000
Hf8 Hf 0.78349 0.55461 0.77112 1.00000
Hf9 Hf 0.70379 0.31157 0.01536 1.00000
Hf10 Hf 0.29621 0.68843 0.98464 1.00000
Hf11 Hf 0.29621 0.31157 0.60778 1.00000
Hf12 Hf 0.70379 0.68843 0.39222 1.00000
Zr1 Zr 0.00000 0.50000 0.50000 1.00000
Zr2 Zr 0.00000 0.00000 0.00000 1.00000
Co1 Co 0.50000 0.12430 0.62430 1.00000
Co2 Co 0.50000 0.87570 0.37570 1.00000
Co3 Co 0.64447 0.64447 1.00000 1.00000
Co4 Co 0.35553 0.35553 0.00000 1.00000
Get direct link