RbCS(OF)3
Alexandria ALEXAlex-ID: agm005233354 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3E3_16_spg4
RbCOF3 RbSO3F CO2 CS14 CF4
2023-05-07 13:01:38.583809
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005233354).
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 agm005233354
data_agm005233354
_cell_length_a 5.86418
_cell_length_b 5.27457
_cell_length_c 10.47240
_cell_angle_alpha 77.17709
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 315.84413
_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
Rb1 Rb 0.34937 0.99523 0.85766 1.00000
Rb2 Rb 0.84937 0.00477 0.14234 1.00000
C1 C 0.93336 0.62737 0.64699 1.00000
C2 C 0.43336 0.37263 0.35301 1.00000
S1 S 0.33108 0.42987 0.17972 1.00000
S2 S 0.83108 0.57013 0.82028 1.00000
O1 O 0.98974 0.37491 0.89066 1.00000
O2 O 0.59603 0.48280 0.81307 1.00000
O3 O 0.09603 0.51720 0.18693 1.00000
O4 O 0.48974 0.62509 0.10934 1.00000
O5 O 0.85269 0.82673 0.85120 1.00000
O6 O 0.35269 0.17327 0.14880 1.00000
F1 F 0.79982 0.80185 0.56585 1.00000
F2 F 0.43447 0.59698 0.39591 1.00000
F3 F 0.29982 0.19815 0.43415 1.00000
F4 F 0.93447 0.40302 0.60409 1.00000
F5 F 0.15085 0.72249 0.63788 1.00000
F6 F 0.65085 0.27751 0.36212 1.00000
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