Li2Mg2Si2H
Alexandria ALEXAlex-ID: agm006580171 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_520_spg69
Mg2Si LiH LiSi
2024-03-01 17:52:19.264467
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006580171).
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 agm006580171
data_agm006580171
_cell_length_a 7.53247
_cell_length_b 7.53247
_cell_length_c 7.53247
_cell_angle_alpha 149.96976
_cell_angle_beta 149.96976
_cell_angle_gamma 42.98580
_cell_volume 106.76245
_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 0.50000 0.50000 1.00000
Li2 Li 0.50000 0.00000 0.50000 1.00000
Mg1 Mg 0.16839 0.16839 0.00000 1.00000
Mg2 Mg 0.83161 0.83161 0.00000 1.00000
Si1 Si 0.36324 0.36324 0.00000 1.00000
Si2 Si 0.63676 0.63676 0.00000 1.00000
H1 H 0.00000 0.00000 0.00000 1.00000
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