CsF4
Alexandria ALEXAlex-ID: agm079074855 · Space group: P4/mbm (#127)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4_135_spg127
CsF3 CsF5
2025-01-09 09:09:35
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079074855).
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 agm079074855
data_agm079074855
_cell_length_a 4.31572
_cell_length_b 9.96694
_cell_length_c 9.99546
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 429.95039
_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 0.50000 0.21296 0.46325 1.00000
Cs2 Cs 0.50000 0.78809 0.03701 1.00000
Cs3 Cs 0.50000 0.71296 0.53675 1.00000
Cs4 Cs 0.50000 0.28809 0.96299 1.00000
F1 F 0.00000 0.99715 0.49827 1.00000
F2 F 0.00000 0.00401 0.00183 1.00000
F3 F 0.00000 0.74850 0.75169 1.00000
F4 F 0.00000 0.25263 0.74816 1.00000
F5 F 0.00000 0.49715 0.50173 1.00000
F6 F 0.00000 0.50401 0.99817 1.00000
F7 F 0.00000 0.24850 0.24831 1.00000
F8 F 0.00000 0.75263 0.25184 1.00000
F9 F 0.66675 0.00030 0.74970 1.00000
F10 F 0.33325 0.00030 0.74970 1.00000
F11 F 0.33325 0.50030 0.25030 1.00000
F12 F 0.66675 0.50030 0.25030 1.00000
F13 F 0.00000 0.12325 0.12811 1.00000
F14 F 0.00000 0.87789 0.37198 1.00000
F15 F 0.00000 0.37789 0.62802 1.00000
F16 F 0.00000 0.62325 0.87189 1.00000
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