Cs2ReF
Alexandria ALEXAlex-ID: agm005494790 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_159_spg122
Cs Re CsF
2023-03-21 02:08:38.969378
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005494790).
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 agm005494790
data_agm005494790
_cell_length_a 7.66260
_cell_length_b 7.66260
_cell_length_c 7.66260
_cell_angle_alpha 112.07495
_cell_angle_beta 112.07495
_cell_angle_gamma 104.38059
_cell_volume 344.31666
_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 0.21038 0.62500 0.08538 1.00000
Cs2 Cs 0.53962 0.12500 0.91462 1.00000
Cs3 Cs 0.37500 0.46038 0.58538 1.00000
Cs4 Cs 0.87500 0.78962 0.41462 1.00000
Re1 Re 0.75000 0.25000 0.50000 1.00000
Re2 Re 0.00000 0.00000 0.00000 1.00000
F1 F 0.25000 0.75000 0.50000 1.00000
F2 F 0.50000 0.50000 0.00000 1.00000
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