Li4MgSi2S7
Alexandria ALEXAlex-ID: agm020187080 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4D7_86_spg9
Li4MgSi2S7
2024-11-15 05:44:47.956938
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020187080).
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 agm020187080
data_agm020187080
_cell_length_a 8.95871
_cell_length_b 8.95871
_cell_length_c 10.09646
_cell_angle_alpha 86.34693
_cell_angle_beta 86.34693
_cell_angle_gamma 44.56809
_cell_volume 567.30182
_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 0.18672 0.52134 0.41426 1.00000
Li2 Li 0.52134 0.18672 0.91426 1.00000
Li3 Li 0.22779 0.90142 0.33255 1.00000
Li4 Li 0.90142 0.22779 0.83255 1.00000
Li5 Li 0.31510 0.68657 0.69644 1.00000
Li6 Li 0.68657 0.31510 0.19644 1.00000
Li7 Li 0.38221 0.04163 0.60830 1.00000
Li8 Li 0.04163 0.38221 0.10830 1.00000
Mg1 Mg 0.65590 0.91330 0.25669 1.00000
Mg2 Mg 0.91330 0.65590 0.75669 1.00000
Si1 Si 0.81396 0.46133 0.46915 1.00000
Si2 Si 0.46133 0.81396 0.96915 1.00000
Si3 Si 0.76072 0.09156 0.53743 1.00000
Si4 Si 0.09156 0.76072 0.03743 1.00000
S1 S 0.69960 0.35897 0.61401 1.00000
S2 S 0.35897 0.69960 0.11401 1.00000
S3 S 0.56875 0.21073 0.36697 1.00000
S4 S 0.21073 0.56875 0.86697 1.00000
S5 S 0.63138 0.03600 0.69429 1.00000
S6 S 0.03600 0.63138 0.19429 1.00000
S7 S 0.94417 0.28243 0.29743 1.00000
S8 S 0.28243 0.94417 0.79743 1.00000
S9 S 0.04836 0.41679 0.56752 1.00000
S10 S 0.41679 0.04836 0.06752 1.00000
S11 S 0.54336 0.79084 0.42613 1.00000
S12 S 0.79084 0.54336 0.92613 1.00000
S13 S 0.08861 0.82494 0.50718 1.00000
S14 S 0.82494 0.08861 0.00718 1.00000
