Te2MoW3(SeS2)2
Alexandria ALEXAlex-ID: agm005240435 · Space group: P3m1 (#156)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D3E4_3_spg156
Te2Mo WSe2 WS2
2023-05-06 10:34:01.833641
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005240435).
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 agm005240435
data_agm005240435
_cell_length_a 3.30574
_cell_length_b 3.30574
_cell_length_c 37.99802
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 359.60696
_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
Te1 Te 0.33333 0.66667 0.41909 1.00000
Te2 Te 0.33333 0.66667 0.52046 1.00000
Mo1 Mo 0.00000 0.00000 0.09196 1.00000
W1 W 0.00000 0.00000 0.46978 1.00000
W2 W 0.33333 0.66667 0.27823 1.00000
W3 W 0.33333 0.66667 0.66295 1.00000
Se1 Se 0.33333 0.66667 0.04775 1.00000
Se2 Se 0.33333 0.66667 0.13618 1.00000
S1 S 0.00000 0.00000 0.31858 1.00000
S2 S 0.00000 0.00000 0.70330 1.00000
S3 S 0.00000 0.00000 0.23788 1.00000
S4 S 0.00000 0.00000 0.62259 1.00000
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