Cs2ReF8
Alexandria ALEXAlex-ID: agm080917011 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_570_spg12
Cs2ReF8
2025-02-24 02:29:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm080917011).
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 agm080917011
data_agm080917011
_cell_length_a 7.06541
_cell_length_b 7.30786
_cell_length_c 7.31630
_cell_angle_alpha 57.85117
_cell_angle_beta 61.18822
_cell_angle_gamma 61.14354
_cell_volume 266.90463
_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 0.36350 0.26229 0.19409 1.00000
Cs2 Cs 0.81798 0.80627 0.73702 1.00000
Re1 Re 0.09093 0.99375 0.00629 1.00000
F1 F 0.03647 0.73310 0.04365 1.00000
F2 F 0.14572 0.95482 0.26723 1.00000
F3 F 0.32525 0.14450 0.85943 1.00000
F4 F 0.81404 0.95103 0.26532 1.00000
F5 F 0.93119 0.29568 0.01891 1.00000
F6 F 0.25039 0.98255 0.70423 1.00000
F7 F 0.36819 0.73420 0.04823 1.00000
F8 F 0.85637 0.14182 0.85560 1.00000
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