Li(Mg3Ga4)2
Alexandria ALEXAlex-ID: agm072961053 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_404_spg148
LiMg3Ga8 Li2Ga3 MgGa
2024-10-06 16:40:33.719613
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072961053).
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 agm072961053
data_agm072961053
_cell_length_a 7.13634
_cell_length_b 7.13634
_cell_length_c 7.13634
_cell_angle_alpha 67.86695
_cell_angle_beta 67.86695
_cell_angle_gamma 67.86695
_cell_volume 299.94261
_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
Mg1 Mg 0.16629 0.64122 0.41725 1.00000
Mg2 Mg 0.41725 0.16629 0.64122 1.00000
Mg3 Mg 0.64122 0.41725 0.16629 1.00000
Mg4 Mg 0.83371 0.35878 0.58275 1.00000
Mg5 Mg 0.58275 0.83371 0.35878 1.00000
Mg6 Mg 0.35878 0.58275 0.83371 1.00000
Ga1 Ga 0.27381 0.27381 0.27381 1.00000
Ga2 Ga 0.72619 0.72619 0.72619 1.00000
Ga3 Ga 0.85837 0.04266 0.40141 1.00000
Ga4 Ga 0.40141 0.85837 0.04266 1.00000
Ga5 Ga 0.04266 0.40141 0.85837 1.00000
Ga6 Ga 0.14163 0.95734 0.59859 1.00000
Ga7 Ga 0.59859 0.14163 0.95734 1.00000
Ga8 Ga 0.95734 0.59859 0.14163 1.00000
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