Cu6Pt4Au
Alexandria ALEXAlex-ID: agm003661379 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_181_spg121
Cu3Pt CuPt CuAu6
2022-04-08 11:08:07.255402
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003661379).
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 agm003661379
data_agm003661379
_cell_length_a 6.48348
_cell_length_b 6.48348
_cell_length_c 6.48348
_cell_angle_alpha 77.83493
_cell_angle_beta 127.25507
_cell_angle_gamma 127.25507
_cell_volume 167.36305
_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 0.00000 0.74915 0.42974 1.00000
Cu2 Cu 0.00000 0.42974 0.74915 1.00000
Cu3 Cu 0.68058 0.25085 0.25085 1.00000
Cu4 Cu 0.50000 0.00000 0.50000 1.00000
Cu5 Cu 0.31942 0.57026 0.57026 1.00000
Cu6 Cu 0.50000 0.50000 0.00000 1.00000
Pt1 Pt 0.00000 0.07456 0.57042 1.00000
Pt2 Pt 0.50414 0.42958 0.42958 1.00000
Pt3 Pt 0.00000 0.57042 0.07456 1.00000
Pt4 Pt 0.49586 0.92544 0.92544 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
Get direct link