Cs6SbAu2
Alexandria ALEXAlex-ID: agm005664082 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1041_spg69
Cs5SbAu2 Cs
2023-07-09 08:31:05.179863
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005664082).
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 agm005664082
data_agm005664082
_cell_length_a 6.51605
_cell_length_b 9.63166
_cell_length_c 10.27299
_cell_angle_alpha 83.84241
_cell_angle_beta 71.50966
_cell_angle_gamma 70.22898
_cell_volume 575.40915
_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 0.94386 0.28050 0.83178 1.00000
Cs2 Cs 0.27565 0.28050 0.16821 1.00000
Cs3 Cs 0.72435 0.71950 0.83179 1.00000
Cs4 Cs 0.38974 0.72051 0.50000 1.00000
Cs5 Cs 0.61026 0.27949 0.50000 1.00000
Cs6 Cs 0.05614 0.71950 0.16822 1.00000
Sb1 Sb 0.00000 0.50000 0.50000 1.00000
Au1 Au 0.32716 0.50000 0.84569 1.00000
Au2 Au 0.67284 0.50000 0.15431 1.00000
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