CeCuAu11
Alexandria ALEXAlex-ID: agm005698329 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC11_0_spg12
Ce(CuAu2)4 CeAu6 CuAu6
2023-06-29 15:35:15.579001
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698329).
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 agm005698329
data_agm005698329
_cell_length_a 5.58773
_cell_length_b 7.18831
_cell_length_c 7.32733
_cell_angle_alpha 81.59793
_cell_angle_beta 67.58613
_cell_angle_gamma 67.46685
_cell_volume 251.30696
_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
Ce1 Ce 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.50000 0.50000 0.00000 1.00000
Au1 Au 0.29694 0.21831 0.21013 1.00000
Au2 Au 0.70306 0.78169 0.78987 1.00000
Au3 Au 0.49292 0.78169 0.21013 1.00000
Au4 Au 0.50708 0.21831 0.78987 1.00000
Au5 Au 0.35581 0.64751 0.66368 1.00000
Au6 Au 0.64419 0.35249 0.33632 1.00000
Au7 Au 0.98050 0.35249 0.66368 1.00000
Au8 Au 0.01950 0.64751 0.33632 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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