Li4ZnSi2S7
Alexandria ALEXAlex-ID: agm020118976 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4D7_12_spg9
Li2SiS3 Li2ZnSiS4
2024-11-02 01:00:37.505979
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020118976).
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 agm020118976
data_agm020118976
_cell_length_a 9.00896
_cell_length_b 9.00896
_cell_length_c 10.11898
_cell_angle_alpha 85.41011
_cell_angle_beta 85.41011
_cell_angle_gamma 42.86335
_cell_volume 556.60264
_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 0.27419 0.56467 0.29388 1.00000
Li2 Li 0.56467 0.27419 0.79388 1.00000
Li3 Li 0.68228 0.02773 0.13991 1.00000
Li4 Li 0.02773 0.68228 0.63991 1.00000
Li5 Li 0.30803 0.97210 0.21982 1.00000
Li6 Li 0.97210 0.30803 0.71982 1.00000
Li7 Li 0.52737 0.89291 0.86028 1.00000
Li8 Li 0.89291 0.52737 0.36028 1.00000
Zn1 Zn 0.17760 0.80847 0.93834 1.00000
Zn2 Zn 0.80847 0.17760 0.43834 1.00000
Si1 Si 0.11446 0.45075 0.02100 1.00000
Si2 Si 0.45075 0.11446 0.52100 1.00000
Si3 Si 0.74776 0.39140 0.07861 1.00000
Si4 Si 0.39140 0.74776 0.57861 1.00000
S1 S 0.85514 0.50146 0.93767 1.00000
S2 S 0.50146 0.85514 0.43767 1.00000
S3 S 0.40550 0.66594 0.12013 1.00000
S4 S 0.66594 0.40550 0.62013 1.00000
S5 S 0.91440 0.27658 0.25909 1.00000
S6 S 0.27658 0.91440 0.75909 1.00000
S7 S 0.80631 0.14719 0.98561 1.00000
S8 S 0.14719 0.80631 0.48561 1.00000
S9 S 0.98814 0.64304 0.18694 1.00000
S10 S 0.64304 0.98814 0.68694 1.00000
S11 S 0.38760 0.11283 0.05171 1.00000
S12 S 0.11283 0.38760 0.55171 1.00000
S13 S 0.17793 0.57196 0.86003 1.00000
S14 S 0.57196 0.17793 0.36003 1.00000
