Dy15Cd2Pd5
Alexandria ALEXAlex-ID: agm007988061 · Space group: R3m (#160)
Basic Information
Formula
Dy15Cd2Pd5
Alex-ID
agm007988061
Elements
3
Sites
44
Space group
R3m (#160)
Crystal system
trigonal
Volume
1,174.62
ų
Cell a
15.2758
Å
Cell b
15.2758
Å
Cell c
15.2758
Å
α angle
37.32
°
β angle
37.32
°
γ angle
37.32
°
Composition
Element Composition (atomic fraction)
Composition Info
Formula
Dy15Cd2Pd5
Dy
30.00 · 68.2%
Cd
4.00 · 9.1%
Pd
10.00 · 22.7%
Energy & Stability
Energy above hull
0.0044
eV/atom
Formation energy
-0.4963
eV/atom
Corrected total energy
-215.5714
eV
Raw total energy
-215.5714
eV
Electronic Structure
Indirect band gap
0.0000
eV
Direct band gap
0.0007
eV
DOS at Fermi level
50.9138
Total magnetisation
-0.0085
μB
Additional Information
Prototype ID
A2B5C15_2_spg160
Decomposition
Dy3Pd Dy4CdPd DyPd
Computed at
2024-09-04 09:44:54.340522
Citation
Alexandria website
https://alexandria.icams.rub.de/
Attribution
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007988061).
Reference
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
BibTeX
@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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Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm007988061
data_agm007988061
_cell_length_a 15.27583
_cell_length_b 15.27583
_cell_length_c 15.27583
_cell_angle_alpha 37.31958
_cell_angle_beta 37.31958
_cell_angle_gamma 37.31958
_cell_volume 1174.62277
_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
Dy1 Dy 0.68037 0.68037 0.06407 1.00000
Dy2 Dy 0.68037 0.06407 0.68037 1.00000
Dy3 Dy 0.06407 0.68037 0.68037 1.00000
Dy4 Dy 0.81923 0.81923 0.23826 1.00000
Dy5 Dy 0.81923 0.23826 0.81923 1.00000
Dy6 Dy 0.23826 0.81923 0.81923 1.00000
Dy7 Dy 0.67808 0.67808 0.29408 1.00000
Dy8 Dy 0.67808 0.29408 0.67808 1.00000
Dy9 Dy 0.29408 0.67808 0.67808 1.00000
Dy10 Dy 0.52014 0.52014 0.15601 1.00000
Dy11 Dy 0.52014 0.15601 0.52014 1.00000
Dy12 Dy 0.15601 0.52014 0.52014 1.00000
Dy13 Dy 0.20769 0.20769 0.57473 1.00000
Dy14 Dy 0.20769 0.57473 0.20769 1.00000
Dy15 Dy 0.57473 0.20769 0.20769 1.00000
Dy16 Dy 0.38468 0.38468 0.00951 1.00000
Dy17 Dy 0.38468 0.00951 0.38468 1.00000
Dy18 Dy 0.00951 0.38468 0.38468 1.00000
Dy19 Dy 0.23950 0.23950 0.86200 1.00000
Dy20 Dy 0.23950 0.86200 0.23950 1.00000
Dy21 Dy 0.86200 0.23950 0.23950 1.00000
Dy22 Dy 0.91653 0.91653 0.29275 1.00000
Dy23 Dy 0.91653 0.29275 0.91653 1.00000
Dy24 Dy 0.29275 0.91653 0.91653 1.00000
Dy25 Dy 0.06131 0.06131 0.44076 1.00000
Dy26 Dy 0.06131 0.44076 0.06131 1.00000
Dy27 Dy 0.44076 0.06131 0.06131 1.00000
Dy28 Dy 0.88457 0.88457 0.88457 1.00000
Dy29 Dy 0.73127 0.73127 0.73127 1.00000
Dy30 Dy 0.47328 0.47328 0.47328 1.00000
Cd1 Cd 0.55627 0.55627 0.88817 1.00000
Cd2 Cd 0.55627 0.88817 0.55627 1.00000
Cd3 Cd 0.88817 0.55627 0.55627 1.00000
Cd4 Cd 0.60764 0.60764 0.60764 1.00000
Pd1 Pd 0.36922 0.36922 0.79433 1.00000
Pd2 Pd 0.36922 0.79433 0.36922 1.00000
Pd3 Pd 0.79433 0.36922 0.36922 1.00000
Pd4 Pd 0.06303 0.06303 0.63571 1.00000
Pd5 Pd 0.06303 0.63571 0.06303 1.00000
Pd6 Pd 0.63571 0.06303 0.06303 1.00000
Pd7 Pd 0.90952 0.90952 0.48868 1.00000
Pd8 Pd 0.90952 0.48868 0.90952 1.00000
Pd9 Pd 0.48868 0.90952 0.90952 1.00000
Pd10 Pd 0.99666 0.99666 0.99666 1.00000
