AcAl2F8
Alexandria ALEXAlex-ID: agm005998323 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_139_spg164
AlF3 Al AcF3
2023-10-14 17:26:36.086990
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005998323).
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 agm005998323
data_agm005998323
_cell_length_a 3.75370
_cell_length_b 7.26430
_cell_length_c 7.26399
_cell_angle_alpha 120.00308
_cell_angle_beta 90.00240
_cell_angle_gamma 89.99403
_cell_volume 171.53203
_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
Ac1 Ac 0.00000 0.00000 0.99999 1.00000
Al1 Al 0.20062 0.33332 0.66668 1.00000
Al2 Al 0.79938 0.66668 0.33330 1.00000
F1 F 0.30187 0.66668 0.33328 1.00000
F2 F 0.69813 0.33332 0.66669 1.00000
F3 F 0.80165 0.80198 0.19342 1.00000
F4 F 0.19832 0.19343 0.39148 1.00000
F5 F 0.19826 0.60852 0.80197 1.00000
F6 F 0.19835 0.19802 0.80657 1.00000
F7 F 0.80168 0.80656 0.60850 1.00000
F8 F 0.80174 0.39148 0.19802 1.00000
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