Cu3NiAu3
Alexandria ALEXAlex-ID: agm003548639 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_284_spg148
Cu2Au5 Cu Ni
2022-04-03 05:29:27.871688
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003548639).
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 agm003548639
data_agm003548639
_cell_length_a 6.11999
_cell_length_b 6.11999
_cell_length_c 7.49070
_cell_angle_alpha 65.88897
_cell_angle_beta 65.88897
_cell_angle_gamma 60.00000
_cell_volume 214.24173
_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 0.58727 0.76824 0.58785 1.00000
Cu2 Cu 0.76824 0.05664 0.58785 1.00000
Cu3 Cu 0.05664 0.58727 0.58785 1.00000
Cu4 Cu 0.94336 0.41273 0.41215 1.00000
Cu5 Cu 0.23176 0.94336 0.41215 1.00000
Cu6 Cu 0.41273 0.23176 0.41215 1.00000
Ni1 Ni 0.30135 0.30135 0.09594 1.00000
Ni2 Ni 0.69865 0.69865 0.90406 1.00000
Au1 Au 0.25574 0.70524 0.17926 1.00000
Au2 Au 0.85976 0.25574 0.17926 1.00000
Au3 Au 0.70524 0.85976 0.17926 1.00000
Au4 Au 0.29476 0.14024 0.82074 1.00000
Au5 Au 0.14024 0.74426 0.82074 1.00000
Au6 Au 0.74426 0.29476 0.82074 1.00000
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