Ag3Pd3Se8
Alexandria ALEXAlex-ID: agm005696622 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_4_spg166
Ag2Se PdSe2 AgSe2
2023-06-29 10:56:48.872547
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005696622).
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 agm005696622
data_agm005696622
_cell_length_a 7.72933
_cell_length_b 7.72934
_cell_length_c 7.72933
_cell_angle_alpha 59.99370
_cell_angle_beta 59.99370
_cell_angle_gamma 59.99369
_cell_volume 326.47446
_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 0.37704 0.37704 0.37704 1.00000
Ag2 Ag 0.62296 0.62296 0.62296 1.00000
Ag3 Ag 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.50000 0.00000 0.00000 1.00000
Pd2 Pd 0.00000 0.50000 0.00000 1.00000
Pd3 Pd 0.00000 0.00000 0.50000 1.00000
Se1 Se 0.76449 0.76449 0.76449 1.00000
Se2 Se 0.20756 0.75628 0.75628 1.00000
Se3 Se 0.75628 0.20756 0.75628 1.00000
Se4 Se 0.75628 0.75628 0.20756 1.00000
Se5 Se 0.23551 0.23551 0.23551 1.00000
Se6 Se 0.79244 0.24372 0.24372 1.00000
Se7 Se 0.24372 0.79244 0.24372 1.00000
Se8 Se 0.24372 0.24372 0.79244 1.00000
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