Li2Zn4Ru
Alexandria ALEXAlex-ID: agm005991232 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_2492_spg65
LiZn5Ru2 Li3Zn4 LiZn2Ru
2023-10-13 17:56:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005991232).
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 agm005991232
data_agm005991232
_cell_length_a 4.12625
_cell_length_b 7.28828
_cell_length_c 5.21750
_cell_angle_alpha 134.30238
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 112.29293
_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 0.00000 0.78731 0.57461 1.00000
Li2 Li 0.00000 0.21269 0.42539 1.00000
Zn1 Zn 0.00000 0.29667 0.00000 1.00000
Zn2 Zn 0.00000 0.70333 1.00000 1.00000
Zn3 Zn 0.50000 0.50000 0.50000 1.00000
Zn4 Zn 0.50000 0.00000 0.50000 1.00000
Ru1 Ru 0.50000 0.50000 0.00000 1.00000
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