Li2(MgIn)5
Alexandria ALEXAlex-ID: agm005652417 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_18_spg12
Mg3In Mg4In3 LiIn
2023-06-19 02:34:53.388290
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005652417).
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 agm005652417
data_agm005652417
_cell_length_a 4.42205
_cell_length_b 7.10129
_cell_length_c 9.55859
_cell_angle_alpha 72.70102
_cell_angle_beta 76.62562
_cell_angle_gamma 71.85906
_cell_volume 269.13658
_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 0.92212 0.40535 0.75041 1.00000
Li2 Li 0.07788 0.59465 0.24959 1.00000
Mg1 Mg 0.83890 0.82384 0.49836 1.00000
Mg2 Mg 0.25389 0.74110 0.75112 1.00000
Mg3 Mg 0.74611 0.25890 0.24888 1.00000
Mg4 Mg 0.16110 0.17616 0.50164 1.00000
Mg5 Mg 0.00000 0.00000 0.00000 1.00000
In1 In 0.50000 0.50000 0.50000 1.00000
In2 In 0.33615 0.33587 0.99182 1.00000
In3 In 0.40731 0.92816 0.25722 1.00000
In4 In 0.59269 0.07184 0.74278 1.00000
In5 In 0.66385 0.66413 0.00818 1.00000
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