CuAgPt
Alexandria ALEXAlex-ID: agm005667066 · Space group: Pmmn (#59)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_1999_spg2
Ag CuPt
2023-06-19 08:37:14.600159
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667066).
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 agm005667066
data_agm005667066
_cell_length_a 3.78327
_cell_length_b 2.78764
_cell_length_c 9.15030
_cell_angle_alpha 107.41771
_cell_angle_beta 90.01754
_cell_angle_gamma 90.00409
_cell_volume 92.07761
_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 0.76809 0.54603 0.84254 1.00000
Cu2 Cu 0.26810 0.50547 0.30826 1.00000
Ag1 Ag 0.26803 0.87060 0.66972 1.00000
Ag2 Ag 0.76807 0.18062 0.48109 1.00000
Pt1 Pt 0.26807 0.19115 0.98948 1.00000
Pt2 Pt 0.76805 0.86065 0.16136 1.00000
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