CsAcF14
Alexandria ALEXAlex-ID: agm005753748 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
CsF8 AcF3 F2
2023-07-23 14:56:12.373966
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005753748).
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 agm005753748
data_agm005753748
_cell_length_a 9.28303
_cell_length_b 9.28303
_cell_length_c 9.28303
_cell_angle_alpha 123.40834
_cell_angle_beta 109.57788
_cell_angle_gamma 96.56382
_cell_volume 581.99921
_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 0.62455 0.25000 0.37455 1.00000
Cs2 Cs 0.37545 0.75000 0.62545 1.00000
Ac1 Ac 0.00000 0.50000 0.00000 1.00000
Ac2 Ac 0.00000 0.00000 0.50000 1.00000
F1 F 0.73517 0.80784 0.92733 1.00000
F2 F 0.26483 0.19216 0.07267 1.00000
F3 F 0.38051 0.30784 0.07267 1.00000
F4 F 0.61949 0.69216 0.92733 1.00000
F5 F 0.99600 0.37468 0.62132 1.00000
F6 F 0.00400 0.62532 0.37868 1.00000
F7 F 0.25336 0.87468 0.37868 1.00000
F8 F 0.74664 0.12532 0.62132 1.00000
F9 F 0.16727 0.35689 0.81038 1.00000
F10 F 0.83273 0.64311 0.18962 1.00000
F11 F 0.04651 0.85689 0.18962 1.00000
F12 F 0.95349 0.14311 0.81038 1.00000
F13 F 0.74643 0.17732 0.06654 1.00000
F14 F 0.25357 0.32012 0.43090 1.00000
F15 F 0.61078 0.67732 0.43090 1.00000
F16 F 0.38922 0.82012 0.06654 1.00000
F17 F 0.25357 0.82268 0.93346 1.00000
F18 F 0.74643 0.67988 0.56910 1.00000
F19 F 0.38922 0.32268 0.56910 1.00000
F20 F 0.61078 0.17988 0.93346 1.00000
F21 F 0.30893 0.64294 0.22117 1.00000
F22 F 0.69107 0.91224 0.33401 1.00000
F23 F 0.92177 0.14294 0.33401 1.00000
F24 F 0.07823 0.41224 0.22117 1.00000
F25 F 0.69107 0.35706 0.77883 1.00000
F26 F 0.30893 0.08776 0.66599 1.00000
F27 F 0.07823 0.85706 0.66599 1.00000
F28 F 0.92177 0.58776 0.77883 1.00000
