Fe8Cu3Au8
Alexandria ALEXAlex-ID: agm008487307 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B8C8_21_spg2
Cu2Au5 CuAu6 Fe
2024-07-09 10:19:37.834970
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008487307).
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 agm008487307
data_agm008487307
_cell_length_a 5.89212
_cell_length_b 6.29917
_cell_length_c 8.44103
_cell_angle_alpha 105.82747
_cell_angle_beta 97.61887
_cell_angle_gamma 106.70996
_cell_volume 281.01647
_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
Fe1 Fe 0.38987 0.97825 0.35773 1.00000
Fe2 Fe 0.61013 0.02175 0.64227 1.00000
Fe3 Fe 0.22651 0.69713 0.56723 1.00000
Fe4 Fe 0.77349 0.30287 0.43277 1.00000
Fe5 Fe 0.46871 0.76854 0.86071 1.00000
Fe6 Fe 0.53129 0.23146 0.13929 1.00000
Fe7 Fe 0.67023 0.49183 0.93196 1.00000
Fe8 Fe 0.32977 0.50817 0.06804 1.00000
Cu1 Cu 0.00000 0.00000 0.50000 1.00000
Cu2 Cu 0.15912 0.25274 0.29149 1.00000
Cu3 Cu 0.84088 0.74726 0.70851 1.00000
Au1 Au 0.87204 0.15792 0.96451 1.00000
Au2 Au 0.12796 0.84208 0.03549 1.00000
Au3 Au 0.43068 0.36923 0.60678 1.00000
Au4 Au 0.56932 0.63077 0.39322 1.00000
Au5 Au 0.98107 0.58131 0.25101 1.00000
Au6 Au 0.01893 0.41869 0.74899 1.00000
Au7 Au 0.27424 0.09758 0.81499 1.00000
Au8 Au 0.72576 0.90242 0.18501 1.00000
Get direct link