Cs2Na2O2F
Alexandria ALEXAlex-ID: agm004544396 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_152_spg12
Cs3O4 Cs2O Na2O CsF
2022-06-22 23:21:56.020809
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004544396).
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 agm004544396
data_agm004544396
_cell_length_a 3.90569
_cell_length_b 6.72228
_cell_length_c 6.71885
_cell_angle_alpha 71.42539
_cell_angle_beta 73.10304
_cell_angle_gamma 73.11193
_cell_volume 156.14045
_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 0.55600 0.22586 0.66213 1.00000
Cs2 Cs 0.44400 0.77414 0.33787 1.00000
Na1 Na 0.20542 0.68168 0.90748 1.00000
Na2 Na 0.79458 0.31832 0.09252 1.00000
O1 O 0.17145 0.41603 0.24107 1.00000
O2 O 0.82855 0.58397 0.75893 1.00000
F1 F 0.00000 0.00000 0.00000 1.00000
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