CsRuF6
Alexandria ALEXAlex-ID: agm079385684 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_4_spg166
CsRuF6
2025-02-04 14:05:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079385684).
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
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# CIF generated by HEAS from Alexandria entry agm079385684
data_agm079385684
_cell_length_a 6.42990
_cell_length_b 6.42990
_cell_length_c 5.37546
_cell_angle_alpha 59.67381
_cell_angle_beta 120.32619
_cell_angle_gamma 96.47775
_cell_volume 162.54034
_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 0.46915 0.53085 0.46940 1.00000
Ru1 Ru 0.96897 0.03103 0.46889 1.00000
F1 F 0.88140 0.80468 0.78468 1.00000
F2 F 0.05658 0.25731 0.15313 1.00000
F3 F 0.19532 0.11860 0.78468 1.00000
F4 F 0.74269 0.94342 0.15313 1.00000
F5 F 0.22192 0.77808 0.65016 1.00000
F6 F 0.71596 0.28404 0.28737 1.00000
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