KMg(FeCl4)2
Alexandria ALEXAlex-ID: agm004884091 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_293_spg12
KFeCl4 MgCl2 FeCl2
2023-01-01 22:22:44.862111
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004884091).
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 agm004884091
data_agm004884091
_cell_length_a 6.37999
_cell_length_b 6.37999
_cell_length_c 9.23100
_cell_angle_alpha 86.55198
_cell_angle_beta 86.55198
_cell_angle_gamma 68.59576
_cell_volume 348.89697
_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
K1 K 0.00000 0.00000 0.50000 1.00000
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
Fe1 Fe 0.62583 0.62583 0.21180 1.00000
Fe2 Fe 0.37417 0.37417 0.78820 1.00000
Cl1 Cl 0.75945 0.24830 0.79893 1.00000
Cl2 Cl 0.76157 0.76157 0.01255 1.00000
Cl3 Cl 0.70075 0.70075 0.42840 1.00000
Cl4 Cl 0.29925 0.29925 0.57160 1.00000
Cl5 Cl 0.23843 0.23843 0.98745 1.00000
Cl6 Cl 0.24830 0.75945 0.79893 1.00000
Cl7 Cl 0.75170 0.24055 0.20107 1.00000
Cl8 Cl 0.24055 0.75170 0.20107 1.00000
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