Li5Y2Zn5
Alexandria ALEXAlex-ID: agm005657010 · Space group: Pmmm (#47)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_3_spg47
Li2Zn YZn2 Li
2023-06-19 02:41:10.147228
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005657010).
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 agm005657010
data_agm005657010
_cell_length_a 4.51644
_cell_length_b 5.15365
_cell_length_c 9.26727
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 215.70650
_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 0.50000 0.74999 0.24531 1.00000
Li3 Li 0.50000 0.25001 0.75469 1.00000
Li4 Li 0.50000 0.25001 0.24531 1.00000
Li5 Li 0.50000 0.74999 0.75469 1.00000
Y1 Y 0.00000 0.50000 0.00000 1.00000
Y2 Y 0.00000 0.00000 0.50000 1.00000
Zn1 Zn 0.00000 0.50000 0.33194 1.00000
Zn2 Zn 0.00000 0.00000 0.82832 1.00000
Zn3 Zn 0.00000 0.00000 0.17168 1.00000
Zn4 Zn 0.00000 0.50000 0.66806 1.00000
Zn5 Zn 0.50000 0.00000 0.00000 1.00000
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