BaMn2F10
Alexandria ALEXAlex-ID: agm017680162 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C10_252_spg44
BaMnF6 MnF4
2024-10-26 16:58:43.085967
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017680162).
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 agm017680162
data_agm017680162
_cell_length_a 6.60850
_cell_length_b 6.60850
_cell_length_c 6.60850
_cell_angle_alpha 112.93278
_cell_angle_beta 108.54037
_cell_angle_gamma 107.00027
_cell_volume 221.52083
_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
Ba1 Ba 0.52421 0.50000 0.02421 1.00000
Mn1 Mn 0.00144 0.24813 0.24957 1.00000
Mn2 Mn 0.00144 0.75187 0.75331 1.00000
F1 F 0.07383 0.00000 0.07383 1.00000
F2 F 0.93012 0.50000 0.43012 1.00000
F3 F 0.23369 0.99137 0.76168 1.00000
F4 F 0.77031 0.00863 0.24232 1.00000
F5 F 0.77077 0.20268 0.97345 1.00000
F6 F 0.77077 0.79732 0.56810 1.00000
F7 F 0.23013 0.30799 0.53812 1.00000
F8 F 0.23013 0.69201 0.92214 1.00000
F9 F 0.23369 0.47201 0.24232 1.00000
F10 F 0.77031 0.52799 0.76168 1.00000
Get direct link