CsSiAu2
Alexandria ALEXAlex-ID: agm005703543 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_55_spg64
CsSiAu2
2023-07-13 13:29:47.878948
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005703543).
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 agm005703543
data_agm005703543
_cell_length_a 8.48009
_cell_length_b 7.62587
_cell_length_c 10.70596
_cell_angle_alpha 89.99989
_cell_angle_beta 89.99992
_cell_angle_gamma 57.49277
_cell_volume 583.86143
_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 0.71435 0.61727 0.55152 1.00000
Cs2 Cs 0.28565 0.88273 0.05152 1.00000
Cs3 Cs 0.28565 0.38273 0.44848 1.00000
Cs4 Cs 0.71435 0.11727 0.94848 1.00000
Si1 Si 0.79459 0.09188 0.38304 1.00000
Si2 Si 0.20541 0.40811 0.88304 1.00000
Si3 Si 0.20541 0.90812 0.61696 1.00000
Si4 Si 0.79459 0.59189 0.11696 1.00000
Au1 Au 0.86682 0.01891 0.60088 1.00000
Au2 Au 0.13318 0.48109 0.10088 1.00000
Au3 Au 0.13318 0.98109 0.39912 1.00000
Au4 Au 0.86682 0.51891 0.89912 1.00000
Au5 Au 0.84924 0.81355 0.25082 1.00000
Au6 Au 0.15076 0.68645 0.75082 1.00000
Au7 Au 0.15076 0.18645 0.74918 1.00000
Au8 Au 0.84924 0.31355 0.24918 1.00000
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