Cs6O2F
Alexandria ALEXAlex-ID: agm005689148 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1739_spg12
Cs6O2F
2023-07-09 01:04:05.560929
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005689148).
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 agm005689148
data_agm005689148
_cell_length_a 4.32429
_cell_length_b 9.20772
_cell_length_c 13.37109
_cell_angle_alpha 122.50503
_cell_angle_beta 89.99999
_cell_angle_gamma 103.58094
_cell_volume 431.23597
_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 0.03495 0.06989 0.75408 1.00000
Cs2 Cs 0.70127 0.40255 0.07329 1.00000
Cs3 Cs 0.29873 0.59745 0.92671 1.00000
Cs4 Cs 0.64114 0.28229 0.60446 1.00000
Cs5 Cs 0.35886 0.71771 0.39554 1.00000
Cs6 Cs 0.96505 0.93011 0.24592 1.00000
O1 O 0.66250 0.32499 0.82450 1.00000
O2 O 0.33750 0.67501 0.17550 1.00000
F1 F 0.00000 0.00000 0.50000 1.00000
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