AgSbTe2
Alexandria ALEXAlex-ID: agm005288388 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_6955_spg123
Sb2Te3 Ag2Te
2024-11-11 19:01:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005288388).
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 agm005288388
data_agm005288388
_cell_length_a 4.39641
_cell_length_b 60.63196
_cell_length_c 58.52055
_cell_angle_alpha 3.70979
_cell_angle_beta 58.31521
_cell_angle_gamma 59.52834
_cell_volume 816.75482
_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 0.93030 0.44026 0.07097 1.00000
Ag2 Ag 0.93717 0.51671 0.06321 1.00000
Ag3 Ag 0.97648 0.62342 0.02301 1.00000
Ag4 Ag 0.00049 0.71415 0.00014 1.00000
Ag5 Ag 0.06328 0.91214 0.93650 1.00000
Ag6 Ag 0.02275 0.80514 0.97700 1.00000
Ag7 Ag 0.06994 0.98801 0.92932 1.00000
Sb1 Sb 0.07767 0.06583 0.92305 1.00000
Sb2 Sb 0.03283 0.09910 0.96765 1.00000
Sb3 Sb 0.02330 0.16265 0.97691 1.00000
Sb4 Sb 0.99990 0.21425 0.00006 1.00000
Sb5 Sb 0.97694 0.26629 0.02269 1.00000
Sb6 Sb 0.96671 0.32920 0.03266 1.00000
Sb7 Sb 0.92243 0.36282 0.07685 1.00000
Te1 Te 0.46445 0.96969 0.53615 1.00000
Te2 Te 0.44182 0.02127 0.55757 1.00000
Te3 Te 0.46207 0.11088 0.53752 1.00000
Te4 Te 0.50031 0.21418 0.50012 1.00000
Te5 Te 0.53730 0.31756 0.46262 1.00000
Te6 Te 0.55862 0.40767 0.44205 1.00000
Te7 Te 0.53556 0.45868 0.46403 1.00000
Te8 Te 0.52783 0.52300 0.47299 1.00000
Te9 Te 0.51637 0.58492 0.48420 1.00000
Te10 Te 0.51119 0.65228 0.48901 1.00000
Te11 Te 0.49991 0.71425 0.50006 1.00000
Te12 Te 0.48915 0.77676 0.51048 1.00000
Te13 Te 0.48329 0.84348 0.51599 1.00000
Te14 Te 0.47195 0.90540 0.52720 1.00000
