AcAg2Pd
Alexandria ALEXAlex-ID: agm005654716 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_547_spg62
AcAg3Pd2 AcAg6 AcAgPd
2023-07-13 08:21:31.003753
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005654716).
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 agm005654716
data_agm005654716
_cell_length_a 5.68372
_cell_length_b 7.96675
_cell_length_c 16.50644
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 747.42378
_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
Ac1 Ac 0.45243 0.25000 0.14227 1.00000
Ac2 Ac 0.95243 0.75000 0.35773 1.00000
Ac3 Ac 0.54757 0.75000 0.85773 1.00000
Ac4 Ac 0.04757 0.25000 0.64227 1.00000
Ac5 Ac 0.72239 0.25000 0.39426 1.00000
Ac6 Ac 0.22239 0.75000 0.10574 1.00000
Ac7 Ac 0.27761 0.75000 0.60574 1.00000
Ac8 Ac 0.77761 0.25000 0.89426 1.00000
Ag1 Ag 0.93079 0.05610 0.21329 1.00000
Ag2 Ag 0.43079 0.94390 0.28671 1.00000
Ag3 Ag 0.06921 0.55610 0.78671 1.00000
Ag4 Ag 0.56921 0.44390 0.71329 1.00000
Ag5 Ag 0.06921 0.94390 0.78671 1.00000
Ag6 Ag 0.56921 0.05610 0.71329 1.00000
Ag7 Ag 0.93079 0.44390 0.21329 1.00000
Ag8 Ag 0.43079 0.55610 0.28671 1.00000
Ag9 Ag 0.72918 0.55834 0.03535 1.00000
Ag10 Ag 0.22918 0.44166 0.46465 1.00000
Ag11 Ag 0.27082 0.05834 0.96465 1.00000
Ag12 Ag 0.77082 0.94166 0.53535 1.00000
Ag13 Ag 0.27082 0.44166 0.96465 1.00000
Ag14 Ag 0.77082 0.55834 0.53535 1.00000
Ag15 Ag 0.72918 0.94166 0.03535 1.00000
Ag16 Ag 0.22918 0.05834 0.46465 1.00000
Pd1 Pd 0.20558 0.25000 0.31780 1.00000
Pd2 Pd 0.70558 0.75000 0.18220 1.00000
Pd3 Pd 0.79442 0.75000 0.68220 1.00000
Pd4 Pd 0.29442 0.25000 0.81780 1.00000
Pd5 Pd 0.96946 0.25000 0.06898 1.00000
Pd6 Pd 0.46946 0.75000 0.43102 1.00000
Pd7 Pd 0.03054 0.75000 0.93102 1.00000
Pd8 Pd 0.53054 0.25000 0.56898 1.00000
