Li4MgSi
Alexandria ALEXAlex-ID: agm005736611 · Space group: P6/mmm (#191)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_144_spg191
LiMg Li3Mg5 Li14MgSi4
2023-07-28 22:08:23.785646
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005736611).
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 agm005736611
data_agm005736611
_cell_length_a 4.46384
_cell_length_b 4.46354
_cell_length_c 5.56524
_cell_angle_alpha 89.98809
_cell_angle_beta 90.00193
_cell_angle_gamma 120.01162
_cell_volume 96.01779
_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 0.67051 0.83258 0.28172 1.00000
Li2 Li 0.33746 0.16631 0.71453 1.00000
Li3 Li 0.67079 0.83303 0.71494 1.00000
Li4 Li 0.33716 0.16586 0.28129 1.00000
Mg1 Mg 0.00408 0.49940 0.99829 1.00000
Si1 Si 0.00406 0.49943 0.49806 1.00000
