CuAg4Au7
Alexandria ALEXAlex-ID: agm003666486 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_85_spg12
AgAu AgAu6 Cu
2022-04-08 21:24:36.387652
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003666486).
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 agm003666486
data_agm003666486
_cell_length_a 4.97118
_cell_length_b 9.50249
_cell_length_c 5.62367
_cell_angle_alpha 78.91334
_cell_angle_beta 63.76926
_cell_angle_gamma 74.83662
_cell_volume 229.09679
_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 0.00000 0.00000 1.00000
Ag1 Ag 0.64068 0.22778 0.49086 1.00000
Ag2 Ag 0.35932 0.77222 0.50914 1.00000
Ag3 Ag 0.85264 0.61854 0.67618 1.00000
Ag4 Ag 0.14736 0.38146 0.32382 1.00000
Au1 Au 0.79397 0.91753 0.49453 1.00000
Au2 Au 0.20603 0.08247 0.50547 1.00000
Au3 Au 0.09039 0.70878 0.11045 1.00000
Au4 Au 0.90961 0.29122 0.88955 1.00000
Au5 Au 0.37054 0.47507 0.78386 1.00000
Au6 Au 0.50000 0.00000 0.00000 1.00000
Au7 Au 0.62946 0.52493 0.21614 1.00000
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