Cs2SbCl5O
Alexandria ALEXAlex-ID: agm005167643 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_207_spg107
CsSbCl6 Cs2Sb4O11 CsCl
2023-01-17 17:17:34.784282
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005167643).
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 agm005167643
data_agm005167643
_cell_length_a 7.52109
_cell_length_b 7.52109
_cell_length_c 7.52109
_cell_angle_alpha 87.03745
_cell_angle_beta 121.72492
_cell_angle_gamma 121.72492
_cell_volume 292.56583
_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 0.50000 0.25093 0.75093 1.00000
Cs2 Cs 0.50000 0.75093 0.25093 1.00000
Sb1 Sb 0.00000 0.97819 0.97819 1.00000
Cl1 Cl 0.47863 0.24041 0.24041 1.00000
Cl2 Cl 0.52137 0.76178 0.76178 1.00000
Cl3 Cl 1.00000 0.76178 0.24041 1.00000
Cl4 Cl 1.00000 0.24041 0.76178 1.00000
Cl5 Cl 0.00000 0.20815 0.20815 1.00000
O1 O 0.00000 0.80746 0.80746 1.00000
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