NaCuAu11
Alexandria ALEXAlex-ID: agm005698244 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC11_5_spg12
NaAu5 CuAu6
2023-06-29 15:32:22.291854
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698244).
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 agm005698244
data_agm005698244
_cell_length_a 5.45849
_cell_length_b 6.93331
_cell_length_c 7.51901
_cell_angle_alpha 82.86569
_cell_angle_beta 68.71672
_cell_angle_gamma 69.99170
_cell_volume 249.14851
_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
Na1 Na 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.50000 0.50000 0.00000 1.00000
Au1 Au 0.30308 0.21780 0.20827 1.00000
Au2 Au 0.69692 0.78220 0.79173 1.00000
Au3 Au 0.48866 0.78220 0.20827 1.00000
Au4 Au 0.51134 0.21780 0.79173 1.00000
Au5 Au 0.34111 0.64148 0.66008 1.00000
Au6 Au 0.65889 0.35852 0.33992 1.00000
Au7 Au 0.99882 0.35852 0.66008 1.00000
Au8 Au 0.00118 0.64148 0.33992 1.00000
Au9 Au 0.00000 0.50000 0.00000 1.00000
Au10 Au 0.50000 0.00000 0.50000 1.00000
Au11 Au 0.00000 0.00000 0.50000 1.00000
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