Ce5(CoCl)2
Alexandria ALEXAlex-ID: agm005565063 · Space group: Cmce (#64)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_59_spg64
Ce2Cl5 Ce CeCo
2023-06-02 15:11:20.483140
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005565063).
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 agm005565063
data_agm005565063
_cell_length_a 8.31307
_cell_length_b 6.58755
_cell_length_c 8.42633
_cell_angle_alpha 90.00075
_cell_angle_beta 60.44299
_cell_angle_gamma 90.00092
_cell_volume 401.39868
_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
Ce1 Ce 0.00000 0.00000 0.00000 1.00000
Ce2 Ce 0.50000 0.50000 0.00000 1.00000
Ce3 Ce 0.44564 0.13542 0.74742 1.00000
Ce4 Ce 0.80694 0.86457 0.74742 1.00000
Ce5 Ce 0.30693 0.63544 0.74741 1.00000
Ce6 Ce 0.94564 0.36458 0.74741 1.00000
Ce7 Ce 0.55436 0.86458 0.25258 1.00000
Ce8 Ce 0.19306 0.13543 0.25258 1.00000
Ce9 Ce 0.69307 0.36456 0.25259 1.00000
Ce10 Ce 0.05436 0.63542 0.25259 1.00000
Co1 Co 0.10163 0.33642 1.00000 1.00000
Co2 Co 0.89837 0.66358 0.00000 1.00000
Co3 Co 0.39837 0.83641 1.00000 1.00000
Co4 Co 0.60163 0.16359 0.00000 1.00000
Cl1 Cl 0.20043 0.00000 0.59915 1.00000
Cl2 Cl 0.70042 0.50000 0.59915 1.00000
Cl3 Cl 0.79957 1.00000 0.40085 1.00000
Cl4 Cl 0.29958 0.50000 0.40085 1.00000
Get direct link