NaMn2F6
Alexandria ALEXAlex-ID: agm005692276 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1490_spg146
NaMnF4 MnF2
2023-07-07 03:57:38.017457
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692276).
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
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# CIF generated by HEAS from Alexandria entry agm005692276
data_agm005692276
_cell_length_a 5.54980
_cell_length_b 5.56579
_cell_length_c 5.86866
_cell_angle_alpha 61.87874
_cell_angle_beta 61.72874
_cell_angle_gamma 59.93932
_cell_volume 131.50247
_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 0.79326 0.79230 0.62149 1.00000
Mn1 Mn 0.27657 0.27566 0.16965 1.00000
Mn2 Mn 0.47131 0.47171 0.58546 1.00000
F1 F 0.51846 0.25662 0.37393 1.00000
F2 F 0.25902 0.85010 0.37448 1.00000
F3 F 0.84786 0.51988 0.37153 1.00000
F4 F 0.40953 0.64474 0.83572 1.00000
F5 F 0.64590 0.11304 0.83221 1.00000
F6 F 0.11239 0.41027 0.83258 1.00000
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