Hf2CoAu
Alexandria ALEXAlex-ID: agm005804990 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_452_spg38
HfCo HfAu
2023-07-11 22:41:18.639550
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005804990).
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 agm005804990
data_agm005804990
_cell_length_a 4.22852
_cell_length_b 6.70666
_cell_length_c 6.79347
_cell_angle_alpha 131.24882
_cell_angle_beta 90.00126
_cell_angle_gamma 89.99939
_cell_volume 144.85049
_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 0.24999 0.82400 0.24834 1.00000
Hf2 Hf 0.75001 0.17600 0.75166 1.00000
Hf3 Hf 0.75000 0.24891 0.33727 1.00000
Hf4 Hf 0.25000 0.75109 0.66273 1.00000
Co1 Co 0.75000 0.67065 0.37282 1.00000
Co2 Co 0.25000 0.32935 0.62718 1.00000
Au1 Au 0.24999 0.31227 0.09693 1.00000
Au2 Au 0.75001 0.68773 0.90307 1.00000
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