Zn(WS2)4
Alexandria ALEXAlex-ID: agm097583147 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_156_spg12
WS2 W ZnS
2025-06-19 15:02:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097583147).
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 agm097583147
data_agm097583147
_cell_length_a 6.85922
_cell_length_b 6.59629
_cell_length_c 6.66478
_cell_angle_alpha 119.85137
_cell_angle_beta 75.00255
_cell_angle_gamma 90.46042
_cell_volume 249.99347
_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
Zn1 Zn 0.55508 0.08420 0.16823 1.00000
W1 W 0.01854 0.94684 0.90733 1.00000
W2 W 0.98551 0.50278 0.54592 1.00000
W3 W 0.99836 0.47037 0.93357 1.00000
W4 W 0.98393 0.04729 0.54922 1.00000
S1 S 0.20509 0.12086 0.24277 1.00000
S2 S 0.26251 0.60455 0.72531 1.00000
S3 S 0.17399 0.63558 0.26567 1.00000
S4 S 0.25652 0.12316 0.73209 1.00000
S5 S 0.79630 0.87087 0.22356 1.00000
S6 S 0.72026 0.38077 0.75958 1.00000
S7 S 0.80095 0.35036 0.21979 1.00000
S8 S 0.74297 0.86237 0.72695 1.00000
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