Li8(MgIn)3
Alexandria ALEXAlex-ID: agm005695859 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_60_spg71
Li2MgIn Li3Mg5 Li13In5
2023-06-29 10:21:07.074803
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005695859).
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 agm005695859
data_agm005695859
_cell_length_a 4.70079
_cell_length_b 7.99201
_cell_length_c 8.59122
_cell_angle_alpha 117.71841
_cell_angle_beta 105.87747
_cell_angle_gamma 90.00000
_cell_volume 271.73569
_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 0.36230 0.10883 0.72459 1.00000
Li2 Li 0.63770 0.89117 0.27541 1.00000
Li3 Li 0.36230 0.61576 0.72459 1.00000
Li4 Li 0.63770 0.38424 0.27541 1.00000
Li5 Li 0.19529 0.84447 0.39058 1.00000
Li6 Li 0.80471 0.15553 0.60942 1.00000
Li7 Li 0.19529 0.54611 0.39058 1.00000
Li8 Li 0.80471 0.45389 0.60942 1.00000
Mg1 Mg 0.50000 0.00000 0.00000 1.00000
Mg2 Mg 1.00000 0.74548 0.00000 1.00000
Mg3 Mg 0.00000 0.25452 1.00000 1.00000
In1 In 0.50000 0.50000 0.00000 1.00000
In2 In 0.17688 0.17688 0.35376 1.00000
In3 In 0.82312 0.82312 0.64624 1.00000
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