Cu4NiAu2
Alexandria ALEXAlex-ID: agm003445643 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_1148_spg71
Cu2Au5 Cu Ni
2022-02-28 22:51:15.237647
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003445643).
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
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# CIF generated by HEAS from Alexandria entry agm003445643
data_agm003445643
_cell_length_a 6.19622
_cell_length_b 6.19622
_cell_length_c 5.15527
_cell_angle_alpha 126.87116
_cell_angle_beta 126.88051
_cell_angle_gamma 90.08354
_cell_volume 104.49885
_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
Cu1 Cu 0.70305 0.29747 0.00052 1.00000
Cu2 Cu 0.29704 0.70260 0.99964 1.00000
Cu3 Cu 0.29742 0.29743 0.00004 1.00000
Cu4 Cu 0.70261 0.70262 0.00004 1.00000
Ni1 Ni 0.99985 0.99982 0.99967 1.00000
Au1 Au 0.74989 0.24991 0.50005 1.00000
Au2 Au 0.25013 0.75015 0.50005 1.00000
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