Cs2Sb2OF10
Alexandria ALEXAlex-ID: agm003239684 · Space group: P2/c (#13)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D10_29_spg13
Cs2Sb2OF10
2021-12-16 09:22:33.254585
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003239684).
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 agm003239684
data_agm003239684
_cell_length_a 5.46711
_cell_length_b 7.62798
_cell_length_c 14.21516
_cell_angle_alpha 79.47087
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 582.83304
_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 0.58998 0.76614 0.40541 1.00000
Cs2 Cs 0.58998 0.23386 0.09459 1.00000
Cs3 Cs 0.41002 0.23386 0.59459 1.00000
Cs4 Cs 0.41002 0.76614 0.90541 1.00000
F1 F 0.15484 0.90811 0.08087 1.00000
F2 F 0.15484 0.09189 0.41913 1.00000
F3 F 0.84516 0.09189 0.91913 1.00000
F4 F 0.84516 0.90811 0.58087 1.00000
F5 F 0.73434 0.84549 0.18131 1.00000
F6 F 0.73434 0.15451 0.31869 1.00000
F7 F 0.26566 0.15451 0.81869 1.00000
F8 F 0.26566 0.84549 0.68131 1.00000
F9 F 0.86103 0.63660 0.05438 1.00000
F10 F 0.86103 0.36340 0.44562 1.00000
F11 F 0.13897 0.36340 0.94562 1.00000
F12 F 0.13897 0.63660 0.55438 1.00000
F13 F 0.16853 0.78859 0.27081 1.00000
F14 F 0.16853 0.21141 0.22919 1.00000
F15 F 0.83147 0.21141 0.72919 1.00000
F16 F 0.83147 0.78859 0.77081 1.00000
F17 F 0.30770 0.57632 0.13692 1.00000
F18 F 0.30770 0.42368 0.36308 1.00000
F19 F 0.69230 0.42368 0.86308 1.00000
F20 F 0.69230 0.57632 0.63692 1.00000
O1 O 0.87179 0.50000 0.25000 1.00000
O2 O 0.12821 0.50000 0.75000 1.00000
Sb1 Sb 0.01871 0.70332 0.16486 1.00000
Sb2 Sb 0.01871 0.29668 0.33514 1.00000
Sb3 Sb 0.98129 0.29668 0.83514 1.00000
Sb4 Sb 0.98129 0.70332 0.66486 1.00000
