La4Co2Cl5
Alexandria ALEXAlex-ID: agm005684779 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_178_spg71
La3CoCl3 La2Co2Cl LaCl3
2023-06-24 06:42:22.001269
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005684779).
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 agm005684779
data_agm005684779
_cell_length_a 4.16138
_cell_length_b 8.32398
_cell_length_c 10.03652
_cell_angle_alpha 114.50728
_cell_angle_beta 101.96359
_cell_angle_gamma 90.00000
_cell_volume 308.01830
_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
La1 La 0.68535 0.68535 0.37071 1.00000
La2 La 0.00000 0.27510 0.00001 1.00000
La3 La 0.31465 0.31465 0.62929 1.00000
La4 La 1.00000 0.72490 0.99999 1.00000
Co1 Co 0.55992 0.55989 0.11982 1.00000
Co2 Co 0.44008 0.44011 0.88018 1.00000
Cl1 Cl 0.17154 0.40468 0.34307 1.00000
Cl2 Cl 0.82846 0.59532 0.65693 1.00000
Cl3 Cl 0.17154 0.93840 0.34308 1.00000
Cl4 Cl 0.50000 0.00000 0.00000 1.00000
Cl5 Cl 0.82846 0.06160 0.65692 1.00000
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