CdAs2F8
Alexandria ALEXAlex-ID: agm005961183 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_1600_spg15
AsF3 CdF2
2023-10-15 08:57:25.907711
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005961183).
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 agm005961183
data_agm005961183
_cell_length_a 5.87666
_cell_length_b 10.33677
_cell_length_c 7.13431
_cell_angle_alpha 74.71372
_cell_angle_beta 65.67836
_cell_angle_gamma 73.48539
_cell_volume 373.25819
_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
As1 As 0.97415 0.87267 0.87525 1.00000
As2 As 0.27793 0.37267 0.37525 1.00000
As3 As 0.72207 0.62733 0.62475 1.00000
As4 As 0.02585 0.12733 0.12475 1.00000
F1 F 0.48543 0.74691 0.52314 1.00000
F2 F 0.28181 0.97814 0.20250 1.00000
F3 F 0.83552 0.92518 0.12713 1.00000
F4 F 0.03999 0.23931 0.48924 1.00000
F5 F 0.16448 0.07482 0.87287 1.00000
F6 F 0.76854 0.26069 0.01076 1.00000
F7 F 0.96001 0.76069 0.51076 1.00000
F8 F 0.11216 0.42518 0.62713 1.00000
F9 F 0.23146 0.73931 0.98924 1.00000
F10 F 0.75547 0.75309 0.97686 1.00000
F11 F 0.53755 0.47814 0.70250 1.00000
F12 F 0.46245 0.52186 0.29750 1.00000
F13 F 0.24453 0.24691 0.02314 1.00000
F14 F 0.88784 0.57482 0.37287 1.00000
F15 F 0.51457 0.25309 0.47686 1.00000
F16 F 0.71819 0.02186 0.79750 1.00000
Cd1 Cd 0.34268 0.75000 0.25000 1.00000
Cd2 Cd 0.65732 0.25000 0.75000 1.00000
