Ag6SbSe8
Alexandria ALEXAlex-ID: agm072885459 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_912_spg1
Ag2Se Sb2Se3 AgSe2
2024-10-07 08:32:50.263327
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072885459).
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
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# CIF generated by HEAS from Alexandria entry agm072885459
data_agm072885459
_cell_length_a 8.80542
_cell_length_b 8.18841
_cell_length_c 7.54598
_cell_angle_alpha 61.90211
_cell_angle_beta 75.98939
_cell_angle_gamma 53.94636
_cell_volume 387.56130
_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 0.74422 0.57308 0.21744 1.00000
Ag2 Ag 0.76662 0.60529 0.59703 1.00000
Ag3 Ag 0.06978 0.18037 0.52228 1.00000
Ag4 Ag 0.36148 0.97823 0.05205 1.00000
Ag5 Ag 0.40509 0.76964 0.78271 1.00000
Ag6 Ag 0.32874 0.33088 0.45730 1.00000
Sb1 Sb 0.74846 0.11874 0.11541 1.00000
Se1 Se 0.05497 0.66949 0.59228 1.00000
Se2 Se 0.23844 0.53309 0.88275 1.00000
Se3 Se 0.99372 0.20343 0.88350 1.00000
Se4 Se 0.85522 0.07537 0.46100 1.00000
Se5 Se 0.97092 0.66677 0.21582 1.00000
Se6 Se 0.43185 0.97747 0.40660 1.00000
Se7 Se 0.48845 0.22881 0.79730 1.00000
Se8 Se 0.48501 0.55065 0.16710 1.00000
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