In4AgPd
Alexandria ALEXAlex-ID: agm005806593 · Space group: P4/mmm (#123)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_169_spg123
In2Ag5 In7Pd3 In
2023-07-31 01:20:48.445808
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005806593).
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 agm005806593
data_agm005806593
_cell_length_a 4.65392
_cell_length_b 4.65489
_cell_length_c 6.56173
_cell_angle_alpha 89.99101
_cell_angle_beta 89.99322
_cell_angle_gamma 89.99947
_cell_volume 142.15009
_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
In1 In 0.50126 0.99701 0.25682 1.00000
In2 In 0.50134 0.99755 0.73942 1.00000
In3 In 0.00142 0.49740 0.73939 1.00000
In4 In 0.00116 0.49718 0.25692 1.00000
Ag1 Ag 0.50129 0.49729 0.99814 1.00000
Pd1 Pd 0.00131 0.99729 0.49813 1.00000
