CsMgF3
Alexandria ALEXAlex-ID: agm005756586 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_41_spg166
Cs4Mg3F10 MgF2
2023-07-03 20:32:27.134932
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005756586).
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 agm005756586
data_agm005756586
_cell_length_a 6.24507
_cell_length_b 6.24508
_cell_length_c 8.32354
_cell_angle_alpha 67.96670
_cell_angle_beta 67.96670
_cell_angle_gamma 60.00000
_cell_volume 253.38844
_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 0.78832 0.78832 0.63505 1.00000
Cs2 Cs 0.21168 0.21168 0.36495 1.00000
Cs3 Cs 0.00000 0.00000 0.00000 1.00000
Mg1 Mg 0.62235 0.62235 0.13293 1.00000
Mg2 Mg 0.37765 0.37765 0.86707 1.00000
Mg3 Mg 0.50000 0.50000 0.50000 1.00000
F1 F 0.69858 0.28042 0.32242 1.00000
F2 F 0.69858 0.69858 0.32242 1.00000
F3 F 0.28042 0.69858 0.32242 1.00000
F4 F 0.30142 0.71958 0.67758 1.00000
F5 F 0.30142 0.30142 0.67758 1.00000
F6 F 0.71958 0.30142 0.67758 1.00000
F7 F 0.00000 0.50000 0.00000 1.00000
F8 F 0.50000 0.50000 0.00000 1.00000
F9 F 0.50000 0.00000 0.00000 1.00000
Get direct link