Cs5(Si2Sb)2
Alexandria ALEXAlex-ID: agm003364310 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_599_spg12
Cs2Sb Cs3Sb Si
2022-02-05 15:36:01.225065
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003364310).
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 agm003364310
data_agm003364310
_cell_length_a 7.36352
_cell_length_b 9.22117
_cell_length_c 12.34992
_cell_angle_alpha 113.07454
_cell_angle_beta 72.65527
_cell_angle_gamma 66.46727
_cell_volume 595.78957
_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 0.24766 0.17656 0.83082 1.00000
Cs2 Cs 0.75234 0.82344 0.16918 1.00000
Cs3 Cs 0.00000 0.50000 0.50000 1.00000
Cs4 Cs 0.74496 0.17656 0.83082 1.00000
Cs5 Cs 0.25504 0.82344 0.16918 1.00000
Si1 Si 0.36711 0.15227 0.11350 1.00000
Si2 Si 0.63289 0.84773 0.88650 1.00000
Si3 Si 0.80657 0.55113 0.83573 1.00000
Si4 Si 0.19343 0.44887 0.16427 1.00000
Sb1 Sb 0.15902 0.80727 0.87469 1.00000
Sb2 Sb 0.84098 0.19273 0.12531 1.00000
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