La5Zn5Ir2
Alexandria ALEXAlex-ID: agm005652161 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_19_spg12
La5Ir3 LaZnIr LaZn2
2023-06-19 14:39:36.089877
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005652161).
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 agm005652161
data_agm005652161
_cell_length_a 4.44230
_cell_length_b 8.26275
_cell_length_c 8.81492
_cell_angle_alpha 85.25419
_cell_angle_beta 75.40553
_cell_angle_gamma 74.40625
_cell_volume 301.55283
_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 0.00000 0.50000 0.50000 1.00000
La2 La 0.70304 0.67911 0.91482 1.00000
La3 La 0.38261 0.92093 0.31385 1.00000
La4 La 0.61739 0.07907 0.68615 1.00000
La5 La 0.29696 0.32089 0.08518 1.00000
Zn1 Zn 0.71418 0.23172 0.33991 1.00000
Zn2 Zn 0.94101 0.29184 0.82615 1.00000
Zn3 Zn 0.05899 0.70816 0.17385 1.00000
Zn4 Zn 0.28582 0.76828 0.66009 1.00000
Zn5 Zn 0.00000 0.00000 0.00000 1.00000
Ir1 Ir 0.39209 0.45164 0.76417 1.00000
Ir2 Ir 0.60791 0.54836 0.23583 1.00000
Get direct link