Li3La3Mg8
Alexandria ALEXAlex-ID: agm005696161 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_19_spg12
LaMg LaMg3 Li
2023-06-29 10:29:12.463797
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005696161).
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 agm005696161
data_agm005696161
_cell_length_a 5.25096
_cell_length_b 9.07297
_cell_length_c 9.07298
_cell_angle_alpha 64.32857
_cell_angle_beta 73.17955
_cell_angle_gamma 73.17955
_cell_volume 366.11763
_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 1.00000 0.85841 0.14159 1.00000
Li3 Li 0.00000 0.14159 0.85841 1.00000
La1 La 0.50000 0.50000 0.50000 1.00000
La2 La 0.76376 0.23624 0.23624 1.00000
La3 La 0.23624 0.76376 0.76376 1.00000
Mg1 Mg 0.64167 0.04540 0.67125 1.00000
Mg2 Mg 0.35833 0.95460 0.32875 1.00000
Mg3 Mg 0.64167 0.67125 0.04540 1.00000
Mg4 Mg 0.35833 0.32875 0.95460 1.00000
Mg5 Mg 0.85827 0.79504 0.48843 1.00000
Mg6 Mg 0.14173 0.20496 0.51157 1.00000
Mg7 Mg 0.85827 0.48843 0.79504 1.00000
Mg8 Mg 0.14173 0.51157 0.20496 1.00000
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