Cs2Sb2C4O9F4
Alexandria ALEXAlex-ID: agm005290507 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C4D4E9_0_spg2
CsSb(CO3)2 CsSbF4 CO2 C
2024-10-20 04:34:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005290507).
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 agm005290507
data_agm005290507
_cell_length_a 8.94123
_cell_length_b 8.74276
_cell_length_c 11.54469
_cell_angle_alpha 100.71321
_cell_angle_beta 100.30631
_cell_angle_gamma 63.64902
_cell_volume 789.81470
_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 0.33003 0.89429 0.14675 1.00000
Cs2 Cs 0.66997 0.10571 0.85325 1.00000
Cs3 Cs 0.88548 0.89876 0.31892 1.00000
Cs4 Cs 0.11452 0.10124 0.68108 1.00000
Sb1 Sb 0.84831 0.38592 0.20311 1.00000
Sb2 Sb 0.15169 0.61408 0.79689 1.00000
Sb3 Sb 0.61333 0.65371 0.71612 1.00000
Sb4 Sb 0.38667 0.34629 0.28388 1.00000
C1 C 0.76297 0.42616 0.46525 1.00000
C2 C 0.23703 0.57384 0.53475 1.00000
C3 C 0.64124 0.61008 0.43035 1.00000
C4 C 0.35876 0.38992 0.56965 1.00000
C5 C 0.72286 0.63247 0.98590 1.00000
C6 C 0.27714 0.36753 0.01410 1.00000
C7 C 0.81998 0.44333 0.93259 1.00000
C8 C 0.18002 0.55667 0.06741 1.00000
O1 O 0.64225 0.63923 0.32797 1.00000
O2 O 0.35775 0.36077 0.67203 1.00000
O3 O 0.54895 0.71319 0.50911 1.00000
O4 O 0.45105 0.28681 0.49089 1.00000
O5 O 0.82937 0.31071 0.38058 1.00000
O6 O 0.17063 0.68929 0.61942 1.00000
O7 O 0.78604 0.40213 0.57209 1.00000
O8 O 0.21396 0.59787 0.42791 1.00000
O9 O 0.65001 0.74350 0.91197 1.00000
O10 O 0.34999 0.25651 0.08803 1.00000
O11 O 0.72073 0.66520 0.09623 1.00000
O12 O 0.27927 0.33480 0.90377 1.00000
O13 O 0.82333 0.41403 0.82135 1.00000
O14 O 0.17667 0.58597 0.17865 1.00000
O15 O 0.88959 0.32773 0.00221 1.00000
O16 O 0.11041 0.67227 0.99779 1.00000
O17 O 0.71971 0.11403 0.57334 1.00000
O18 O 0.28029 0.88597 0.42666 1.00000
F1 F 0.94503 0.12728 0.17436 1.00000
F2 F 0.05497 0.87272 0.82564 1.00000
F3 F 0.63026 0.38164 0.13874 1.00000
F4 F 0.36974 0.61836 0.86126 1.00000
F5 F 0.47420 0.91031 0.72774 1.00000
F6 F 0.52580 0.08969 0.27226 1.00000
F7 F 0.80341 0.70690 0.70949 1.00000
F8 F 0.19659 0.29310 0.29051 1.00000
