Ag4Te3As
Alexandria ALEXAlex-ID: agm006100604 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_1166_spg9
Te3As2 Ag2Te As
2023-09-15 02:31:26.972172
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006100604).
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 agm006100604
data_agm006100604
_cell_length_a 7.19853
_cell_length_b 7.74113
_cell_length_c 9.03178
_cell_angle_alpha 94.94304
_cell_angle_beta 90.00003
_cell_angle_gamma 117.70730
_cell_volume 443.46801
_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
As1 As 0.72999 0.06268 0.67687 1.00000
As2 As 0.33269 0.06268 0.17687 1.00000
Te1 Te 0.67987 0.28615 0.89999 1.00000
Te2 Te 0.60628 0.28615 0.39999 1.00000
Te3 Te 0.35775 0.63324 0.53743 1.00000
Te4 Te 0.27548 0.63324 0.03743 1.00000
Te5 Te 0.92581 0.90405 0.82207 1.00000
Te6 Te 0.97823 0.90405 0.32207 1.00000
Ag1 Ag 0.26050 0.25094 0.95613 1.00000
Ag2 Ag 0.99044 0.25094 0.45613 1.00000
Ag3 Ag 0.54688 0.48409 0.72336 1.00000
Ag4 Ag 0.93721 0.48409 0.22336 1.00000
Ag5 Ag 0.08213 0.43051 0.75904 1.00000
Ag6 Ag 0.34837 0.43051 0.25904 1.00000
Ag7 Ag 0.02925 0.72808 0.57495 1.00000
Ag8 Ag 0.69883 0.72808 0.07495 1.00000
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