La6CoIr2Cl3
Alexandria ALEXAlex-ID: agm044621671 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_251_spg12
La4Co La3IrCl3 La2IrCl La2Co2Cl
2025-03-11 01:15:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044621671).
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 agm044621671
data_agm044621671
_cell_length_a 9.89617
_cell_length_b 9.89617
_cell_length_c 9.02737
_cell_angle_alpha 70.48694
_cell_angle_beta 109.51306
_cell_angle_gamma 155.88330
_cell_volume 339.51101
_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 0.65220 0.34780 0.10256 1.00000
La2 La 0.32367 0.67633 0.44132 1.00000
La3 La 0.34780 0.65220 0.89744 1.00000
La4 La 0.99121 0.00879 0.78142 1.00000
La5 La 0.00879 0.99121 0.21858 1.00000
La6 La 0.67633 0.32367 0.55868 1.00000
Co1 Co 0.50000 0.50000 0.00000 1.00000
Ir1 Ir 0.16550 0.83450 0.33110 1.00000
Ir2 Ir 0.83450 0.16550 0.66890 1.00000
Cl1 Cl 0.50000 0.50000 0.50000 1.00000
Cl2 Cl 0.16555 0.83445 0.83275 1.00000
Cl3 Cl 0.83445 0.16555 0.16725 1.00000
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