AcH2F4
Alexandria ALEXAlex-ID: agm005997225 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_2025_spg65
AcH3F6 H9F AcF3
2023-07-11 10:35:24.890969
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005997225).
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 agm005997225
data_agm005997225
_cell_length_a 5.13869
_cell_length_b 4.63105
_cell_length_c 4.41111
_cell_angle_alpha 121.66634
_cell_angle_beta 89.97729
_cell_angle_gamma 90.05657
_cell_volume 89.34497
_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 1.00000 0.50000 0.00000 1.00000
H1 H 0.50006 0.18027 0.36051 1.00000
H2 H 0.49994 0.81973 0.63949 1.00000
F1 F 0.49990 0.68277 0.36562 1.00000
F2 F 0.99993 0.83211 0.66432 1.00000
F3 F 0.50010 0.31723 0.63437 1.00000
F4 F 0.00007 0.16789 0.33568 1.00000
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