Li2MgIn5Ga
Alexandria ALEXAlex-ID: agm005176697 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_205_spg140
MgIn6 Li2Ga3 LiIn MgGa
2023-01-08 08:41:21.912818
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005176697).
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 agm005176697
data_agm005176697
_cell_length_a 6.84652
_cell_length_b 6.84652
_cell_length_c 10.04074
_cell_angle_alpha 109.93397
_cell_angle_beta 109.93397
_cell_angle_gamma 90.00000
_cell_volume 412.33574
_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 0.13044 0.36956 0.00000 1.00000
Li2 Li 0.63044 0.13044 1.00000 1.00000
Li3 Li 0.36956 0.86956 0.00000 1.00000
Li4 Li 0.86956 0.63044 0.00000 1.00000
Mg1 Mg 0.25000 0.25000 0.50000 1.00000
Mg2 Mg 0.75000 0.75000 0.50000 1.00000
In1 In 0.93262 0.43262 0.25962 1.00000
In2 In 0.67300 0.17300 0.74038 1.00000
In3 In 0.06738 0.56738 0.74038 1.00000
In4 In 0.17300 0.06738 0.74038 1.00000
In5 In 0.56738 0.67300 0.74038 1.00000
In6 In 0.82700 0.93262 0.25962 1.00000
In7 In 0.43262 0.32700 0.25962 1.00000
In8 In 0.32700 0.82700 0.25962 1.00000
In9 In 0.50000 0.50000 0.00000 1.00000
In10 In 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.25000 0.75000 0.50000 1.00000
Ga2 Ga 0.75000 0.25000 0.50000 1.00000
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