MnCdCu2F8
Alexandria ALEXAlex-ID: agm064548563 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_198_spg10
CdCuF4 MnF2 CuF2
2025-01-02 09:49:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm064548563).
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 agm064548563
data_agm064548563
_cell_length_a 4.83807
_cell_length_b 4.83807
_cell_length_c 7.01809
_cell_angle_alpha 85.02293
_cell_angle_beta 94.97707
_cell_angle_gamma 93.27522
_cell_volume 162.83171
_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
Mn1 Mn 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.00000 0.00000 0.50000 1.00000
Cu1 Cu 0.49853 0.50147 0.24295 1.00000
Cu2 Cu 0.50147 0.49853 0.75705 1.00000
F1 F 0.20574 0.20911 0.76049 1.00000
F2 F 0.30469 0.69531 0.02621 1.00000
F3 F 0.79089 0.79426 0.76049 1.00000
F4 F 0.79426 0.79089 0.23951 1.00000
F5 F 0.69531 0.30469 0.97379 1.00000
F6 F 0.20911 0.20574 0.23951 1.00000
F7 F 0.31661 0.68339 0.53271 1.00000
F8 F 0.68339 0.31661 0.46729 1.00000
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