Ca3Ag2Pd3
Alexandria ALEXAlex-ID: agm005576868 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_69_spg63
CaAgPd Ca2AgPd2
2023-06-05 13:19:43.124343
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005576868).
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 agm005576868
data_agm005576868
_cell_length_a 4.41246
_cell_length_b 5.36037
_cell_length_c 15.86586
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 114.30422
_cell_volume 342.00742
_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 0.64359 0.28719 0.04381 1.00000
Ca2 Ca 0.35641 0.71281 0.54381 1.00000
Ca3 Ca 0.64359 0.28719 0.45619 1.00000
Ca4 Ca 0.35641 0.71281 0.95619 1.00000
Ca5 Ca 0.54075 0.08151 0.25000 1.00000
Ca6 Ca 0.45925 0.91849 0.75000 1.00000
Ag1 Ag 0.73405 0.46810 0.65219 1.00000
Ag2 Ag 0.26595 0.53190 0.15219 1.00000
Ag3 Ag 0.73405 0.46810 0.84781 1.00000
Ag4 Ag 0.26595 0.53190 0.34781 1.00000
Pd1 Pd 0.94685 0.89370 0.08784 1.00000
Pd2 Pd 0.05315 0.10630 0.58784 1.00000
Pd3 Pd 0.94685 0.89370 0.41216 1.00000
Pd4 Pd 0.05315 0.10630 0.91216 1.00000
Pd5 Pd 0.83697 0.67394 0.25000 1.00000
Pd6 Pd 0.16303 0.32606 0.75000 1.00000
Get direct link