Cs6AgAu5
Alexandria ALEXAlex-ID: agm006135482 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_8_spg12
Cs5Au4 Ag CsAu
2023-08-16 12:56:45.291472
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006135482).
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 agm006135482
data_agm006135482
_cell_length_a 9.09099
_cell_length_b 9.12199
_cell_length_c 9.11884
_cell_angle_alpha 59.98860
_cell_angle_beta 80.36901
_cell_angle_gamma 70.45850
_cell_volume 617.10094
_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
Cs1 Cs 0.74613 0.08439 0.34066 1.00000
Cs2 Cs 0.25387 0.57495 0.34066 1.00000
Cs3 Cs 0.25316 0.25654 1.00000 1.00000
Cs4 Cs 0.74684 0.74346 0.00000 1.00000
Cs5 Cs 0.74613 0.42505 0.65934 1.00000
Cs6 Cs 0.25387 0.91561 0.65934 1.00000
Au1 Au 0.50000 0.16438 0.67124 1.00000
Au2 Au 0.00000 0.33280 0.33439 1.00000
Au3 Au 0.50000 0.50000 0.00000 1.00000
Au4 Au 1.00000 0.66720 0.66561 1.00000
Au5 Au 0.50000 0.83562 0.32876 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
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