Li2Zn5Ga3
Alexandria ALEXAlex-ID: agm005605828 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_216_spg15
LiZn3 Li2Ga7 Zn
2023-06-24 19:50:03.198446
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005605828).
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 agm005605828
data_agm005605828
_cell_length_a 5.37915
_cell_length_b 7.88856
_cell_length_c 7.88862
_cell_angle_alpha 99.48875
_cell_angle_beta 93.51119
_cell_angle_gamma 93.51192
_cell_volume 328.67738
_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 0.87504 0.62483 0.12483 1.00000
Li2 Li 0.37505 0.12483 0.62484 1.00000
Li3 Li 0.12496 0.37517 0.87517 1.00000
Li4 Li 0.62495 0.87517 0.37516 1.00000
Zn1 Zn 0.63251 0.27476 0.98541 1.00000
Zn2 Zn 0.13250 0.98541 0.27475 1.00000
Zn3 Zn 0.36749 0.72524 0.01459 1.00000
Zn4 Zn 0.86750 0.01459 0.72525 1.00000
Zn5 Zn 0.99216 0.70384 0.78501 1.00000
Zn6 Zn 0.00784 0.29616 0.21499 1.00000
Zn7 Zn 0.75000 0.54036 0.45964 1.00000
Zn8 Zn 0.25000 0.45964 0.54036 1.00000
Zn9 Zn 0.50785 0.21499 0.29616 1.00000
Zn10 Zn 0.49215 0.78501 0.70384 1.00000
Ga1 Ga 0.61993 0.47345 0.77361 1.00000
Ga2 Ga 0.11994 0.77361 0.47344 1.00000
Ga3 Ga 0.38007 0.52655 0.22639 1.00000
Ga4 Ga 0.88006 0.22639 0.52656 1.00000
Ga5 Ga 0.25000 0.04062 0.95938 1.00000
Ga6 Ga 0.75000 0.95938 0.04062 1.00000
