HfNiAu4
Alexandria ALEXAlex-ID: agm005752603 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1911_spg12
HfAu4 HfNi4Au Au
2023-08-05 02:39:42.283242
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005752603).
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 agm005752603
data_agm005752603
_cell_length_a 5.03750
_cell_length_b 5.03929
_cell_length_c 5.01394
_cell_angle_alpha 79.59725
_cell_angle_beta 79.56506
_cell_angle_gamma 119.84813
_cell_volume 102.95858
_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 0.49817 0.00275 0.00126 1.00000
Ni1 Ni 0.99812 0.50269 0.50128 1.00000
Au1 Au 0.33358 0.16707 0.50127 1.00000
Au2 Au 0.66269 0.83827 0.50133 1.00000
Au3 Au 0.83573 0.66498 0.00147 1.00000
Au4 Au 0.16053 0.34052 0.00117 1.00000
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