MnCr2F8
Alexandria ALEXAlex-ID: agm005998045 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_545_spg12
CrF3 MnF2
2023-10-15 09:48:43.073764
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005998045).
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 agm005998045
data_agm005998045
_cell_length_a 4.11025
_cell_length_b 6.02614
_cell_length_c 6.98749
_cell_angle_alpha 125.45483
_cell_angle_beta 89.99061
_cell_angle_gamma 90.72586
_cell_volume 140.96363
_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
Cr1 Cr 0.25087 0.24711 0.62357 1.00000
Cr2 Cr 0.74913 0.75289 0.37641 1.00000
Mn1 Mn 0.00000 0.00000 0.99999 1.00000
F1 F 0.25026 0.82165 0.41092 1.00000
F2 F 0.74974 0.17835 0.58905 1.00000
F3 F 0.75756 0.78704 0.12265 1.00000
F4 F 0.24268 0.21223 0.33532 1.00000
F5 F 0.25344 0.62621 0.81285 1.00000
F6 F 0.24243 0.21297 0.87734 1.00000
F7 F 0.75733 0.78776 0.66466 1.00000
F8 F 0.74656 0.37379 0.18715 1.00000
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