Cs2MnF4
Alexandria ALEXAlex-ID: agm096605550 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_3688_spg1
Cs2MnF4
2025-04-10 18:42:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096605550).
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 agm096605550
data_agm096605550
_cell_length_a 5.32037
_cell_length_b 5.84499
_cell_length_c 6.56127
_cell_angle_alpha 84.45382
_cell_angle_beta 82.51703
_cell_angle_gamma 101.48110
_cell_volume 196.66996
_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 0.80044 0.97509 0.89868 1.00000
Cs2 Cs 0.41540 0.12383 0.43644 1.00000
Mn1 Mn 0.23957 0.48983 0.03247 1.00000
F1 F 0.41688 0.27119 0.87374 1.00000
F2 F 0.96241 0.25031 0.22934 1.00000
F3 F 0.20725 0.73103 0.80542 1.00000
F4 F 0.45805 0.65872 0.22392 1.00000
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