SmAg2TeS4
Alexandria ALEXAlex-ID: agm004869979 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_433_spg74
Sm10S19 Ag2Te Ag2TeS3
2022-07-19 14:09:28.105490
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004869979).
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 agm004869979
data_agm004869979
_cell_length_a 8.01208
_cell_length_b 8.01208
_cell_length_c 8.12442
_cell_angle_alpha 121.12684
_cell_angle_beta 121.12692
_cell_angle_gamma 82.18414
_cell_volume 375.99029
_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
Sm1 Sm 0.00000 0.50000 0.00001 1.00000
Sm2 Sm 1.00000 0.50000 0.49999 1.00000
Ag1 Ag 0.50000 0.00000 0.00000 1.00000
Ag2 Ag 0.50000 0.00000 0.50000 1.00000
Ag3 Ag 0.00000 0.00000 0.50000 1.00000
Ag4 Ag 0.50000 0.50000 1.00000 1.00000
Te1 Te 0.50000 0.50000 0.50000 1.00000
Te2 Te 0.99999 0.00000 1.00000 1.00000
S1 S 0.22329 0.71875 0.97612 1.00000
S2 S 0.78125 0.27671 0.52388 1.00000
S3 S 0.21875 0.72328 0.47612 1.00000
S4 S 0.77673 0.28125 0.02388 1.00000
S5 S 0.79466 0.82697 0.06252 1.00000
S6 S 0.67303 0.70534 0.43748 1.00000
S7 S 0.32697 0.29467 0.56252 1.00000
S8 S 0.20533 0.17303 0.93748 1.00000
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