Cs5Sb(O2F)2
Alexandria ALEXAlex-ID: agm004680274 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4D5_47_spg38
Cs3SbO4 CsF
2022-06-23 14:01:36.272077
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004680274).
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 agm004680274
data_agm004680274
_cell_length_a 7.09527
_cell_length_b 6.65134
_cell_length_c 8.45407
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 122.23353
_cell_volume 337.48465
_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 0.08027 0.36220 0.23720 1.00000
Cs2 Cs 0.40633 0.00000 0.50000 1.00000
Cs3 Cs 0.08027 0.36220 0.76280 1.00000
Cs4 Cs 0.71807 0.63780 0.76280 1.00000
Cs5 Cs 0.71807 0.63780 0.23720 1.00000
Sb1 Sb 0.41211 1.00000 0.00000 1.00000
O1 O 0.57399 0.00000 0.18269 1.00000
O2 O 0.57399 0.00000 0.81731 1.00000
O3 O 0.39440 0.27802 0.00000 1.00000
O4 O 0.11638 0.72198 0.00000 1.00000
F1 F 0.95275 0.57373 0.50000 1.00000
F2 F 0.37902 0.42627 0.50000 1.00000
Get direct link