Ag2Te4Se9
Alexandria ALEXAlex-ID: agm005642002 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C9_138_spg15
TeSe2 Ag2Se
2023-06-15 14:58:19.091998
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005642002).
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 agm005642002
data_agm005642002
_cell_length_a 7.15347
_cell_length_b 7.15159
_cell_length_c 19.86660
_cell_angle_alpha 86.91958
_cell_angle_beta 86.93896
_cell_angle_gamma 58.29195
_cell_volume 863.01826
_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 0.98290 0.99997 0.34624 1.00000
Ag2 Ag 0.99993 0.01707 0.15382 1.00000
Ag3 Ag 0.01710 0.00003 0.65376 1.00000
Ag4 Ag 0.00007 0.98293 0.84618 1.00000
Te1 Te 0.33153 0.31833 0.99613 1.00000
Te2 Te 0.31825 0.33116 0.49612 1.00000
Te3 Te 0.66847 0.68167 0.00387 1.00000
Te4 Te 0.32487 0.36684 0.18311 1.00000
Te5 Te 0.68175 0.66884 0.50388 1.00000
Te6 Te 0.63297 0.67476 0.31690 1.00000
Te7 Te 0.36703 0.32524 0.68310 1.00000
Te8 Te 0.67513 0.63316 0.81689 1.00000
Se1 Se 0.99822 0.29358 0.75778 1.00000
Se2 Se 0.30990 0.69016 0.74994 1.00000
Se3 Se 0.70672 0.00162 0.74219 1.00000
Se4 Se 0.00178 0.70642 0.24222 1.00000
Se5 Se 0.69010 0.30984 0.25006 1.00000
Se6 Se 0.29328 0.99838 0.25781 1.00000
Se7 Se 0.65660 0.96957 0.40661 1.00000
Se8 Se 0.97937 0.33035 0.43142 1.00000
Se9 Se 0.35292 0.68440 0.41759 1.00000
Se10 Se 0.66955 0.02046 0.06870 1.00000
Se11 Se 0.31549 0.64719 0.08234 1.00000
Se12 Se 0.03063 0.34331 0.09341 1.00000
Se13 Se 0.34340 0.03043 0.59339 1.00000
Se14 Se 0.02063 0.66965 0.56858 1.00000
Se15 Se 0.64708 0.31560 0.58241 1.00000
Se16 Se 0.33045 0.97954 0.93130 1.00000
Se17 Se 0.68451 0.35281 0.91766 1.00000
Se18 Se 0.96937 0.65669 0.90659 1.00000
