Li3(ZnGa4)2
Alexandria ALEXAlex-ID: agm005635948 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_498_spg2
LiZn3 Li3ZnGa2 Li2Ga7
2023-06-16 01:01:51.969878
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005635948).
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
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# CIF generated by HEAS from Alexandria entry agm005635948
data_agm005635948
_cell_length_a 8.22891
_cell_length_b 6.81282
_cell_length_c 12.31435
_cell_angle_alpha 35.47828
_cell_angle_beta 37.75704
_cell_angle_gamma 40.16617
_cell_volume 230.84826
_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 0.00000 0.00000 1.00000
Li2 Li 0.30519 0.05318 0.38222 1.00000
Li3 Li 0.69481 0.94682 0.61778 1.00000
Zn1 Zn 0.29479 0.37160 0.76851 1.00000
Zn2 Zn 0.70521 0.62840 0.23149 1.00000
Ga1 Ga 0.53062 0.32594 0.96743 1.00000
Ga2 Ga 0.46938 0.67406 0.03257 1.00000
Ga3 Ga 0.33199 0.80399 0.70853 1.00000
Ga4 Ga 0.83563 0.97575 0.78793 1.00000
Ga5 Ga 0.20348 0.45196 0.56949 1.00000
Ga6 Ga 0.16437 0.02425 0.21207 1.00000
Ga7 Ga 0.66801 0.19601 0.29147 1.00000
Ga8 Ga 0.79652 0.54804 0.43051 1.00000
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