Li5Zn5Ir2
Alexandria ALEXAlex-ID: agm005656219 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_60_spg166
LiZn2Ir Li3Zn2Ir LiZn
2023-06-19 02:42:57.371157
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005656219).
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 agm005656219
data_agm005656219
_cell_length_a 4.38323
_cell_length_b 4.38322
_cell_length_c 11.68321
_cell_angle_alpha 79.11041
_cell_angle_beta 79.11041
_cell_angle_gamma 59.88450
_cell_volume 189.49562
_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
Li1 Li 0.50000 0.50000 0.50000 1.00000
Li2 Li 0.29438 0.29438 0.10136 1.00000
Li3 Li 0.21942 0.21942 0.32686 1.00000
Li4 Li 0.78058 0.78058 0.67314 1.00000
Li5 Li 0.70562 0.70562 0.89864 1.00000
Zn1 Zn 0.85678 0.85678 0.43441 1.00000
Zn2 Zn 0.41240 0.41240 0.78690 1.00000
Zn3 Zn 0.58760 0.58760 0.21310 1.00000
Zn4 Zn 0.14322 0.14322 0.56559 1.00000
Zn5 Zn 0.00000 0.00000 0.00000 1.00000
Ir1 Ir 0.08101 0.08101 0.78468 1.00000
Ir2 Ir 0.91899 0.91899 0.21532 1.00000
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