Fe2CoCl6
Alexandria ALEXAlex-ID: agm005688250 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_736_spg15
CoCl2 FeCl2
2023-07-06 19:15:05.837630
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005688250).
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 agm005688250
data_agm005688250
_cell_length_a 6.36324
_cell_length_b 9.43726
_cell_length_c 9.43726
_cell_angle_alpha 92.99261
_cell_angle_beta 74.44278
_cell_angle_gamma 74.44279
_cell_volume 521.23014
_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
Fe1 Fe 0.13398 0.63785 0.80251 1.00000
Fe2 Fe 0.36602 0.19749 0.36215 1.00000
Fe3 Fe 0.86602 0.36215 0.19749 1.00000
Fe4 Fe 0.63398 0.80251 0.63785 1.00000
Co1 Co 0.25000 0.20672 0.79328 1.00000
Co2 Co 0.75000 0.79328 0.20672 1.00000
Cl1 Cl 0.32246 0.73940 0.60744 1.00000
Cl2 Cl 0.17754 0.39256 0.26060 1.00000
Cl3 Cl 0.67754 0.26060 0.39256 1.00000
Cl4 Cl 0.82246 0.60744 0.73940 1.00000
Cl5 Cl 0.86277 0.82029 0.41218 1.00000
Cl6 Cl 0.63723 0.58782 0.17971 1.00000
Cl7 Cl 0.13723 0.17971 0.58782 1.00000
Cl8 Cl 0.36277 0.41218 0.82029 1.00000
Cl9 Cl 0.05314 0.79461 0.01289 1.00000
Cl10 Cl 0.44686 0.98711 0.20539 1.00000
Cl11 Cl 0.94686 0.20539 0.98711 1.00000
Cl12 Cl 0.55314 0.01289 0.79461 1.00000
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