Rb2CrF8
Alexandria ALEXAlex-ID: agm080956332 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_389_spg12
RbCrF6 RbF3 Rb2CrF6
2025-02-24 02:25:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm080956332).
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 agm080956332
data_agm080956332
_cell_length_a 6.42816
_cell_length_b 6.17477
_cell_length_c 6.87128
_cell_angle_alpha 61.84558
_cell_angle_beta 65.46044
_cell_angle_gamma 62.28913
_cell_volume 206.07264
_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 0.15263 0.35469 0.34538 1.00000
Rb2 Rb 0.66548 0.82800 0.83615 1.00000
Cr1 Cr 0.40905 0.59113 0.59081 1.00000
F1 F 0.28629 0.31479 0.71028 1.00000
F2 F 0.81889 0.02510 0.17902 1.00000
F3 F 0.69716 0.35294 0.66603 1.00000
F4 F 0.29079 0.62759 0.87288 1.00000
F5 F 0.12092 0.82948 0.51584 1.00000
F6 F 0.52740 0.55462 0.30874 1.00000
F7 F 0.53171 0.86763 0.47129 1.00000
F8 F 0.99969 0.15403 0.00359 1.00000
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