CsSbAu3
Alexandria ALEXAlex-ID: agm003140959 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_3843_spg8
Cs2Sb2Au3 Au
2016-05-11 20:40:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003140959).
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
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# CIF generated by HEAS from Alexandria entry agm003140959
data_agm003140959
_cell_length_a 7.05711
_cell_length_b 8.12914
_cell_length_c 7.06426
_cell_angle_alpha 83.07591
_cell_angle_beta 118.38737
_cell_angle_gamma 70.57958
_cell_volume 316.71962
_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 0.22934 0.75975 0.68151 1.00000
Cs2 Cs 0.28412 0.12203 0.26383 1.00000
Sb1 Sb 0.83073 0.27780 0.56080 1.00000
Sb2 Sb 0.90682 0.74967 0.01444 1.00000
Au1 Au 0.80599 0.58759 0.69772 1.00000
Au2 Au 0.25611 0.29364 0.74569 1.00000
Au3 Au 0.80513 0.58790 0.27755 1.00000
Au4 Au 0.63040 0.29380 0.12011 1.00000
Au5 Au 0.38503 0.58783 0.27654 1.00000
Au6 Au 0.71388 0.12188 0.83410 1.00000
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