Li3La3Zn8
Alexandria ALEXAlex-ID: agm005683836 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_19_spg12
Li2LaZn4 LaZn2 Li
2023-06-29 10:24:12.944326
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005683836).
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 agm005683836
data_agm005683836
_cell_length_a 4.64735
_cell_length_b 8.62005
_cell_length_c 8.62005
_cell_angle_alpha 61.39977
_cell_angle_beta 74.36154
_cell_angle_gamma 74.36153
_cell_volume 287.90189
_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 0.00000 0.00000 1.00000
Li2 Li 0.00000 0.80513 0.19487 1.00000
Li3 Li 1.00000 0.19487 0.80513 1.00000
La1 La 0.50000 0.50000 0.50000 1.00000
La2 La 0.78722 0.21278 0.21278 1.00000
La3 La 0.21278 0.78722 0.78722 1.00000
Zn1 Zn 0.63830 0.07348 0.64991 1.00000
Zn2 Zn 0.36170 0.92652 0.35009 1.00000
Zn3 Zn 0.63830 0.64991 0.07348 1.00000
Zn4 Zn 0.36170 0.35009 0.92652 1.00000
Zn5 Zn 0.83996 0.80572 0.51435 1.00000
Zn6 Zn 0.16004 0.19428 0.48565 1.00000
Zn7 Zn 0.83996 0.51435 0.80572 1.00000
Zn8 Zn 0.16004 0.48565 0.19428 1.00000
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