Ca4CdPd5
Alexandria ALEXAlex-ID: agm006114559 · Space group: P4/mmm (#123)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_155_spg123
Ca2CdPd2 CaPd2 CaPd
2023-10-10 18:08:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006114559).
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 agm006114559
data_agm006114559
_cell_length_a 3.50602
_cell_length_b 3.50602
_cell_length_c 17.13828
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 210.66637
_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 0.19115 1.00000
Ca2 Ca 0.00000 0.00000 0.39683 1.00000
Ca3 Ca 0.00000 0.00000 0.60317 1.00000
Ca4 Ca 0.00000 0.00000 0.80885 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.50000 0.50000 0.08537 1.00000
Pd2 Pd 0.50000 0.50000 0.29310 1.00000
Pd3 Pd 0.50000 0.50000 0.50000 1.00000
Pd4 Pd 0.50000 0.50000 0.70690 1.00000
Pd5 Pd 0.50000 0.50000 0.91463 1.00000
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