Ag8Te6Se
Alexandria ALEXAlex-ID: agm006040367 · Space group: Pmn2_1 (#31)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_257_spg31
Ag2Se Ag2Te Te
2023-09-07 17:07:58.814841
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006040367).
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 agm006040367
data_agm006040367
_cell_length_a 8.19231
_cell_length_b 8.79531
_cell_length_c 11.28019
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 812.78216
_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 0.42472 0.00000 0.91811 1.00000
Ag2 Ag 0.57528 0.50000 0.41811 1.00000
Ag3 Ag 0.91052 0.77455 0.12276 1.00000
Ag4 Ag 0.08948 0.72545 0.62276 1.00000
Ag5 Ag 0.08948 0.27455 0.62276 1.00000
Ag6 Ag 0.91052 0.22545 0.12276 1.00000
Ag7 Ag 0.43378 0.77362 0.72194 1.00000
Ag8 Ag 0.56622 0.72638 0.22194 1.00000
Ag9 Ag 0.56622 0.27362 0.22194 1.00000
Ag10 Ag 0.43378 0.22638 0.72194 1.00000
Ag11 Ag 0.84840 0.77204 0.84566 1.00000
Ag12 Ag 0.15160 0.72796 0.34566 1.00000
Ag13 Ag 0.15160 0.27204 0.34566 1.00000
Ag14 Ag 0.84840 0.22796 0.84566 1.00000
Ag15 Ag 0.25925 0.00000 0.51168 1.00000
Ag16 Ag 0.74075 0.50000 0.01168 1.00000
Te1 Te 0.73979 0.00000 0.99406 1.00000
Te2 Te 0.26021 0.50000 0.49406 1.00000
Te3 Te 0.17855 0.00000 0.75217 1.00000
Te4 Te 0.82145 0.50000 0.25217 1.00000
Te5 Te 0.97495 0.00000 0.36078 1.00000
Te6 Te 0.02505 0.50000 0.86078 1.00000
Te7 Te 0.52396 0.00000 0.36257 1.00000
Te8 Te 0.47604 0.50000 0.86257 1.00000
Te9 Te 0.26234 0.82051 0.11434 1.00000
Te10 Te 0.73766 0.67949 0.61434 1.00000
Te11 Te 0.73766 0.32051 0.61434 1.00000
Te12 Te 0.26234 0.17949 0.11434 1.00000
Se1 Se 0.74779 0.00000 0.52743 1.00000
Se2 Se 0.25221 0.50000 0.02743 1.00000
