RbAcZn2F8
Alexandria ALEXAlex-ID: agm004881973 · Space group: R32 (#155)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_327_spg155
RbZnF3 AcF3 ZnF2
2022-12-23 04:42:23.499678
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004881973).
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 agm004881973
data_agm004881973
_cell_length_a 5.53232
_cell_length_b 5.53232
_cell_length_c 8.81842
_cell_angle_alpha 71.71886
_cell_angle_beta 71.71886
_cell_angle_gamma 60.00000
_cell_volume 217.87041
_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
Rb1 Rb 0.00000 0.00000 0.00000 1.00000
Ac1 Ac 0.50000 0.50000 0.50000 1.00000
Zn1 Zn 0.73750 0.73750 0.78749 1.00000
Zn2 Zn 0.26250 0.26250 0.21251 1.00000
F1 F 0.66208 0.66208 0.01377 1.00000
F2 F 0.33792 0.33792 0.98623 1.00000
F3 F 0.54749 0.21529 0.31985 1.00000
F4 F 0.78471 0.45251 0.68015 1.00000
F5 F 0.08263 0.78471 0.68015 1.00000
F6 F 0.21529 0.91737 0.31985 1.00000
F7 F 0.91737 0.54749 0.31985 1.00000
F8 F 0.45251 0.08263 0.68015 1.00000
Get direct link