AgWC9S4N3
Alexandria ALEXAlex-ID: agm005223224 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3D4E9_1_spg4
AgSN2 WS2 C SN
2024-11-12 06:22:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005223224).
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 agm005223224
data_agm005223224
_cell_length_a 8.40183
_cell_length_b 8.79649
_cell_length_c 12.50420
_cell_angle_alpha 90.00000
_cell_angle_beta 106.05470
_cell_angle_gamma 90.00000
_cell_volume 888.09907
_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
Ag1 Ag 0.42336 0.28196 0.62837 1.00000
Ag2 Ag 0.57664 0.78196 0.37163 1.00000
W1 W 0.26288 0.36040 0.81298 1.00000
W2 W 0.73712 0.86040 0.18702 1.00000
C1 C 0.59043 0.13309 0.58504 1.00000
C2 C 0.40957 0.63309 0.41496 1.00000
C3 C 0.80066 0.96279 0.86548 1.00000
C4 C 0.19934 0.46279 0.13452 1.00000
C5 C 0.70190 0.88515 0.91808 1.00000
C6 C 0.29810 0.38515 0.08192 1.00000
C7 C 0.86833 0.66273 0.86970 1.00000
C8 C 0.13167 0.16273 0.13030 1.00000
C9 C 0.93018 0.53676 0.85579 1.00000
C10 C 0.06982 0.03676 0.14421 1.00000
C11 C 0.87236 0.83238 0.59027 1.00000
C12 C 0.12764 0.33238 0.40973 1.00000
C13 C 0.21506 0.55726 0.70886 1.00000
C14 C 0.78494 0.05726 0.29114 1.00000
C15 C 0.10275 0.65399 0.66119 1.00000
C16 C 0.89725 0.15399 0.33881 1.00000
C17 C 0.74150 0.90661 0.54001 1.00000
C18 C 0.25850 0.40661 0.45999 1.00000
S1 S 0.25766 0.13356 0.74339 1.00000
S2 S 0.74234 0.63356 0.25661 1.00000
S3 S 0.42871 0.53219 0.74103 1.00000
S4 S 0.57129 0.03219 0.25897 1.00000
S5 S 0.42860 0.36991 0.99790 1.00000
S6 S 0.57140 0.86991 0.00210 1.00000
S7 S 0.00792 0.36958 0.85450 1.00000
S8 S 0.99208 0.86958 0.14550 1.00000
N1 N 0.66759 0.02795 0.56805 1.00000
N2 N 0.33241 0.52795 0.43195 1.00000
N3 N 0.80444 0.79062 0.87719 1.00000
N4 N 0.19556 0.29062 0.12281 1.00000
N5 N 0.98634 0.73756 0.61555 1.00000
N6 N 0.01366 0.23756 0.38445 1.00000
