Ag5PdSe3
Alexandria ALEXAlex-ID: agm072250445 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1170_spg1
AgPd2Se3 Ag2Se Ag
2024-09-24 21:33:38.350611
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072250445).
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 agm072250445
data_agm072250445
_cell_length_a 3.93763
_cell_length_b 5.28146
_cell_length_c 9.40628
_cell_angle_alpha 107.33517
_cell_angle_beta 77.91527
_cell_angle_gamma 111.82996
_cell_volume 172.26627
_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 0.66165 0.55588 0.01087 1.00000
Ag2 Ag 0.01794 0.80797 0.55007 1.00000
Ag3 Ag 0.69214 0.93782 0.33115 1.00000
Ag4 Ag 0.01088 0.47383 0.22953 1.00000
Ag5 Ag 0.31336 0.60734 0.75861 1.00000
Pd1 Pd 0.98214 0.07808 0.89246 1.00000
Se1 Se 0.36139 0.38592 0.43918 1.00000
Se2 Se 0.61348 0.17100 0.72303 1.00000
Se3 Se 0.34703 0.98215 0.06510 1.00000
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