Cs4SiAs2F14
Alexandria ALEXAlex-ID: agm020032326 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4D14_14_spg2
CsAsF4 Cs2SiF6
2025-02-27 06:37:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020032326).
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 agm020032326
data_agm020032326
_cell_length_a 7.45593
_cell_length_b 7.62920
_cell_length_c 8.52434
_cell_angle_alpha 89.70652
_cell_angle_beta 88.27831
_cell_angle_gamma 114.81538
_cell_volume 439.83330
_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 0.28383 0.55426 0.12207 1.00000
Cs2 Cs 0.85614 0.75671 0.39409 1.00000
Cs3 Cs 0.71617 0.44574 0.87793 1.00000
Cs4 Cs 0.14386 0.24329 0.60591 1.00000
Si1 Si 0.00000 0.00000 0.00000 1.00000
As1 As 0.36475 0.80025 0.64804 1.00000
As2 As 0.63525 0.19975 0.35196 1.00000
F1 F 0.89543 0.36672 0.33527 1.00000
F2 F 0.23791 0.11876 0.92147 1.00000
F3 F 0.40973 0.67358 0.48237 1.00000
F4 F 0.76209 0.88124 0.07853 1.00000
F5 F 0.95332 0.19725 0.94693 1.00000
F6 F 0.28275 0.93679 0.48997 1.00000
F7 F 0.04668 0.80275 0.05307 1.00000
F8 F 0.92128 0.89775 0.82127 1.00000
F9 F 0.10457 0.63328 0.66473 1.00000
F10 F 0.07872 0.10225 0.17873 1.00000
F11 F 0.41175 0.61109 0.77648 1.00000
F12 F 0.58825 0.38891 0.22352 1.00000
F13 F 0.71725 0.06321 0.51003 1.00000
F14 F 0.59027 0.32642 0.51763 1.00000
