Ag3Pd
Alexandria ALEXAlex-ID: agm054906970 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_5488_spg2
Ag3Pd
2025-03-02 00:27:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm054906970).
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 agm054906970
data_agm054906970
_cell_length_a 5.01992
_cell_length_b 6.47359
_cell_length_c 6.48571
_cell_angle_alpha 83.93835
_cell_angle_beta 82.40735
_cell_angle_gamma 82.63196
_cell_volume 206.34806
_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 0.24972 0.58862 0.91540 1.00000
Ag2 Ag 0.75028 0.41138 0.08460 1.00000
Ag3 Ag 0.50000 0.50000 0.50000 1.00000
Ag4 Ag 0.49523 0.16395 0.83202 1.00000
Ag5 Ag 0.99631 0.32693 0.66735 1.00000
Ag6 Ag 0.75394 0.75485 0.74669 1.00000
Ag7 Ag 0.50477 0.83605 0.16798 1.00000
Ag8 Ag 0.24606 0.24515 0.25331 1.00000
Ag9 Ag 0.00369 0.67307 0.33265 1.00000
Pd1 Pd 0.25121 0.91725 0.58385 1.00000
Pd2 Pd 0.74879 0.08275 0.41615 1.00000
Pd3 Pd 0.00000 0.00000 0.00000 1.00000
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