La6Co3I2
Alexandria ALEXAlex-ID: agm005606417 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C6_107_spg12
La4Co La2CoI La2Co2I
2023-06-12 09:54:04.192178
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005606417).
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 agm005606417
data_agm005606417
_cell_length_a 7.07981
_cell_length_b 7.10132
_cell_length_c 8.67327
_cell_angle_alpha 82.10530
_cell_angle_beta 74.00577
_cell_angle_gamma 60.10016
_cell_volume 363.38412
_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 0.39404 0.66376 0.82185 1.00000
La2 La 0.72935 0.00000 0.82489 1.00000
La3 La 0.05779 0.33624 0.82185 1.00000
La4 La 0.27065 0.00000 0.17511 1.00000
La5 La 0.60596 0.33624 0.17815 1.00000
La6 La 0.94221 0.66376 0.17815 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
Co2 Co 0.32951 0.34098 0.00000 1.00000
Co3 Co 0.67049 0.65902 0.00000 1.00000
I1 I 0.16558 0.66885 0.50000 1.00000
I2 I 0.83442 0.33115 0.50000 1.00000
Get direct link