Na2Ac2F7
Alexandria ALEXAlex-ID: agm005572025 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_727_spg71
Na AcF3 NaF
2023-06-04 13:40:18.342633
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005572025).
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 agm005572025
data_agm005572025
_cell_length_a 3.96579
_cell_length_b 7.77495
_cell_length_c 7.77494
_cell_angle_alpha 58.75808
_cell_angle_beta 75.14644
_cell_angle_gamma 75.14646
_cell_volume 195.89667
_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
Na1 Na 0.50000 0.74028 0.25972 1.00000
Na2 Na 0.50000 0.25972 0.74028 1.00000
Ac1 Ac 0.22636 0.77392 0.77392 1.00000
Ac2 Ac 0.77364 0.22608 0.22608 1.00000
F1 F 0.32843 0.97053 0.37216 1.00000
F2 F 0.67157 0.62784 0.02947 1.00000
F3 F 0.67157 0.02947 0.62784 1.00000
F4 F 0.32843 0.37216 0.97053 1.00000
F5 F 0.00000 1.00000 1.00000 1.00000
F6 F 0.15976 0.33975 0.33975 1.00000
F7 F 0.84024 0.66025 0.66025 1.00000
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