Rb9OF2
Alexandria ALEXAlex-ID: agm101732002 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_860_spg8
Rb9O2 Rb RbF
2025-05-23 23:12:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101732002).
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 agm101732002
data_agm101732002
_cell_length_a 4.44931
_cell_length_b 12.65867
_cell_length_c 12.33203
_cell_angle_alpha 94.33867
_cell_angle_beta 89.93515
_cell_angle_gamma 79.76671
_cell_volume 681.48582
_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 0.28877 0.17019 0.37246 1.00000
Rb2 Rb 0.92388 0.90098 0.38307 1.00000
Rb3 Rb 0.07159 0.60879 0.99309 1.00000
Rb4 Rb 0.34091 0.06593 0.75870 1.00000
Rb5 Rb 0.58033 0.59024 0.36629 1.00000
Rb6 Rb 0.75288 0.24287 0.11896 1.00000
Rb7 Rb 0.38674 0.97692 0.12900 1.00000
Rb8 Rb 0.01506 0.71683 0.66520 1.00000
Rb9 Rb 0.66790 0.41972 0.73614 1.00000
O1 O 0.83753 0.07437 0.24856 1.00000
F1 F 0.10594 0.54152 0.78052 1.00000
F2 F 0.02847 0.69164 0.44799 1.00000
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