CsH2RuF8
Alexandria ALEXAlex-ID: agm004909282 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_672_spg2
CsRuF6 HF
2023-01-01 22:27:23.355012
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004909282).
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 agm004909282
data_agm004909282
_cell_length_a 5.04663
_cell_length_b 5.02297
_cell_length_c 8.40115
_cell_angle_alpha 76.81977
_cell_angle_beta 90.08424
_cell_angle_gamma 71.65492
_cell_volume 196.19454
_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 0.00000 0.00000 0.50000 1.00000
H1 H 0.48604 0.30684 0.71803 1.00000
H2 H 0.51396 0.69316 0.28197 1.00000
Ru1 Ru 0.00000 0.00000 0.00000 1.00000
F1 F 0.23426 0.72399 0.18626 1.00000
F2 F 0.77047 0.76790 0.00608 1.00000
F3 F 0.77843 0.18848 0.14866 1.00000
F4 F 0.76574 0.27601 0.81374 1.00000
F5 F 0.22953 0.23210 0.99392 1.00000
F6 F 0.22157 0.81152 0.85134 1.00000
F7 F 0.64335 0.67007 0.37369 1.00000
F8 F 0.35665 0.32993 0.62631 1.00000
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