CsAsF5
Alexandria ALEXAlex-ID: agm005754088 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_923_spg2
CsAsF6 CsAsF4
2023-07-14 03:46:21.650581
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754088).
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 agm005754088
data_agm005754088
_cell_length_a 6.13453
_cell_length_b 6.13731
_cell_length_c 9.06855
_cell_angle_alpha 68.84289
_cell_angle_beta 68.61637
_cell_angle_gamma 71.05416
_cell_volume 289.07170
_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 0.45915 0.45689 0.79649 1.00000
Cs2 Cs 0.54085 0.54311 0.20351 1.00000
As1 As 0.00000 0.00000 0.00000 1.00000
As2 As 0.00000 0.00000 0.50000 1.00000
F1 F 0.34671 0.95204 0.90492 1.00000
F2 F 0.74292 0.24183 0.50110 1.00000
F3 F 0.18319 0.20264 0.44498 1.00000
F4 F 0.95738 0.96205 0.71336 1.00000
F5 F 0.95344 0.34586 0.90564 1.00000
F6 F 0.04656 0.65414 0.09436 1.00000
F7 F 0.04262 0.03795 0.28664 1.00000
F8 F 0.81681 0.79736 0.55502 1.00000
F9 F 0.25708 0.75817 0.49890 1.00000
F10 F 0.65329 0.04796 0.09508 1.00000
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