CsReF8
Alexandria ALEXAlex-ID: agm080938111 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC8_48_spg160
CsReF8
2025-02-26 22:17:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm080938111).
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 agm080938111
data_agm080938111
_cell_length_a 5.75284
_cell_length_b 6.54712
_cell_length_c 6.23912
_cell_angle_alpha 88.58881
_cell_angle_beta 115.85163
_cell_angle_gamma 118.51563
_cell_volume 180.74735
_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 0.99672 0.48426 0.49468 1.00000
Re1 Re 0.00057 0.00116 0.00064 1.00000
F1 F 0.38702 0.20731 0.01707 1.00000
F2 F 0.58898 0.93036 0.83606 1.00000
F3 F 0.24914 0.19243 0.33481 1.00000
F4 F 0.77922 0.67651 0.81136 1.00000
F5 F 0.24216 0.86222 0.15843 1.00000
F6 F 0.81262 0.82307 0.18634 1.00000
F7 F 0.92779 0.02014 0.67068 1.00000
F8 F 0.01579 0.30255 0.98994 1.00000
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