NaMnF5
Alexandria ALEXAlex-ID: agm005754137 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_421_spg15
NaMn2F9 Na2MnF6
2023-07-14 03:40:55.213629
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754137).
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 agm005754137
data_agm005754137
_cell_length_a 5.55020
_cell_length_b 5.55020
_cell_length_c 7.46400
_cell_angle_alpha 70.41960
_cell_angle_beta 70.41961
_cell_angle_gamma 72.57563
_cell_volume 199.51609
_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 0.53062 0.46938 0.75000 1.00000
Na2 Na 0.46938 0.53062 0.25000 1.00000
Mn1 Mn 0.00000 0.00000 0.00000 1.00000
Mn2 Mn 0.00000 0.00000 0.50000 1.00000
F1 F 0.24610 0.19597 0.88553 1.00000
F2 F 0.29269 0.74443 0.52705 1.00000
F3 F 0.19597 0.24610 0.38553 1.00000
F4 F 0.93355 0.06645 0.75000 1.00000
F5 F 0.25557 0.70731 0.97295 1.00000
F6 F 0.74443 0.29269 0.02705 1.00000
F7 F 0.06645 0.93355 0.25000 1.00000
F8 F 0.80403 0.75390 0.61447 1.00000
F9 F 0.70731 0.25557 0.47295 1.00000
F10 F 0.75390 0.80403 0.11447 1.00000
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