Ca(Ag3Pd2)2
Alexandria ALEXAlex-ID: agm003662018 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_181_spg121
Ca15Pd32 Ag3Pd Ag
2022-04-08 10:32:27.371749
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003662018).
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 agm003662018
data_agm003662018
_cell_length_a 6.98250
_cell_length_b 6.98250
_cell_length_c 6.98250
_cell_angle_alpha 85.01352
_cell_angle_beta 122.91951
_cell_angle_gamma 122.91951
_cell_volume 229.15283
_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
Ca1 Ca 0.00000 0.00000 0.00000 1.00000
Ag1 Ag 0.00000 0.75715 0.45099 1.00000
Ag2 Ag 0.00000 0.45099 0.75715 1.00000
Ag3 Ag 0.69384 0.24285 0.24285 1.00000
Ag4 Ag 0.50000 0.00000 0.50000 1.00000
Ag5 Ag 0.30616 0.54901 0.54901 1.00000
Ag6 Ag 0.50000 0.50000 0.00000 1.00000
Pd1 Pd 0.00000 0.09965 0.58341 1.00000
Pd2 Pd 0.51624 0.41659 0.41659 1.00000
Pd3 Pd 0.00000 0.58341 0.09965 1.00000
Pd4 Pd 0.48376 0.90035 0.90035 1.00000
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