Ba3Ag3Pd
Alexandria ALEXAlex-ID: agm044300591 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_76_spg44
Ba2AgPd BaAg2
2025-04-18 21:19:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044300591).
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 agm044300591
data_agm044300591
_cell_length_a 11.07745
_cell_length_b 11.07745
_cell_length_c 11.07745
_cell_angle_alpha 156.51835
_cell_angle_beta 154.43723
_cell_angle_gamma 34.98514
_cell_volume 233.45129
_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
Ba1 Ba 0.67732 0.17732 0.50000 1.00000
Ba2 Ba 0.31385 0.81385 0.50000 1.00000
Ba3 Ba 0.00550 0.00550 0.00000 1.00000
Ag1 Ag 0.86169 0.36169 0.50000 1.00000
Ag2 Ag 0.13614 0.63614 0.50000 1.00000
Ag3 Ag 0.43739 0.43739 0.00000 1.00000
Pd1 Pd 0.56826 0.56826 0.00000 1.00000
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