Cs4O2F3
Alexandria ALEXAlex-ID: agm005648672 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_908_spg15
Cs2O2F CsF
2023-06-27 20:44:43.453673
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005648672).
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 agm005648672
data_agm005648672
_cell_length_a 8.15288
_cell_length_b 8.87433
_cell_length_c 8.72465
_cell_angle_alpha 120.56913
_cell_angle_beta 99.45980
_cell_angle_gamma 90.00001
_cell_volume 533.51439
_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 0.47811 0.72040 0.96757 1.00000
Cs2 Cs 0.02189 0.75283 0.03243 1.00000
Cs3 Cs 0.52189 0.27960 0.03243 1.00000
Cs4 Cs 0.97811 0.24717 0.96757 1.00000
Cs5 Cs 0.81690 0.67730 0.50254 1.00000
Cs6 Cs 0.68310 0.17476 0.49746 1.00000
Cs7 Cs 0.18310 0.32270 0.49746 1.00000
Cs8 Cs 0.31690 0.82524 0.50254 1.00000
O1 O 0.46619 0.48385 0.41644 1.00000
O2 O 0.03381 0.06740 0.58356 1.00000
O3 O 0.53381 0.51615 0.58356 1.00000
O4 O 0.96619 0.93260 0.41644 1.00000
F1 F 0.14722 0.71286 0.72104 1.00000
F2 F 0.35278 0.99182 0.27896 1.00000
F3 F 0.85278 0.28714 0.27896 1.00000
F4 F 0.64722 0.00818 0.72104 1.00000
F5 F 0.75000 0.51036 0.00000 1.00000
F6 F 0.25000 0.48964 1.00000 1.00000
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