CsMnAsF6
Alexandria ALEXAlex-ID: agm005097337 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_14_spg149
CsAsF4 MnF2
2022-12-15 08:05:11.170559
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005097337).
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 agm005097337
data_agm005097337
_cell_length_a 5.61096
_cell_length_b 5.59570
_cell_length_c 6.40051
_cell_angle_alpha 88.95772
_cell_angle_beta 90.90345
_cell_angle_gamma 65.13688
_cell_volume 182.24175
_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
Cs1 Cs 0.00210 0.00152 0.99980 1.00000
Mn1 Mn 0.67980 0.67850 0.49981 1.00000
As1 As 0.32574 0.32518 0.49986 1.00000
F1 F 0.96018 0.43516 0.29737 1.00000
F2 F 0.43399 0.96099 0.70084 1.00000
F3 F 0.60075 0.36376 0.66399 1.00000
F4 F 0.03695 0.59312 0.68194 1.00000
F5 F 0.36393 0.60341 0.33680 1.00000
F6 F 0.59632 0.03842 0.31951 1.00000
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