Ag12SbSe7
Alexandria ALEXAlex-ID: agm005776900 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB7C12_164_spg1
Ag2Se Sb2Se3 Ag
2023-07-21 01:04:43.657379
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005776900).
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 agm005776900
data_agm005776900
_cell_length_a 10.33138
_cell_length_b 7.69375
_cell_length_c 7.72834
_cell_angle_alpha 104.36703
_cell_angle_beta 112.63158
_cell_angle_gamma 114.40758
_cell_volume 451.70680
_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 0.15205 0.57544 0.10072 1.00000
Ag2 Ag 0.96684 0.29629 0.59969 1.00000
Ag3 Ag 0.49925 0.69872 0.15143 1.00000
Ag4 Ag 0.50692 0.10039 0.31730 1.00000
Ag5 Ag 0.44218 0.32774 0.62280 1.00000
Ag6 Ag 0.25591 0.78043 0.82994 1.00000
Ag7 Ag 0.88025 0.47905 0.21383 1.00000
Ag8 Ag 0.61144 0.55256 0.45653 1.00000
Ag9 Ag 0.41720 0.70273 0.57982 1.00000
Ag10 Ag 0.47936 0.27194 0.01367 1.00000
Ag11 Ag 0.12458 0.97714 0.56388 1.00000
Ag12 Ag 0.77785 0.38684 0.77782 1.00000
Sb1 Sb 0.97452 0.99880 0.98493 1.00000
Se1 Se 0.19856 0.95290 0.27591 1.00000
Se2 Se 0.09397 0.36501 0.35088 1.00000
Se3 Se 0.70796 0.61870 0.00743 1.00000
Se4 Se 0.57802 0.99882 0.01127 1.00000
Se5 Se 0.19913 0.28207 0.91769 1.00000
Se6 Se 0.94172 0.65932 0.63574 1.00000
Se7 Se 0.69230 0.97511 0.58871 1.00000
