Dy15Cd2Rh5
Alexandria ALEXAlex-ID: agm007988050 · Space group: R3m (#160)
Basic Information
Formula
Dy15Cd2Rh5
Alex-ID
agm007988050
Elements
3
Sites
44
Space group
R3m (#160)
Crystal system
trigonal
Volume
1,142.52
ų
Cell a
15.0955
Å
Cell b
15.0955
Å
Cell c
15.0955
Å
α angle
37.49
°
β angle
37.49
°
γ angle
37.49
°
Composition
Element Composition (atomic fraction)
Composition Info
Formula
Dy15Cd2Rh5
Dy
30.00 · 68.2%
Cd
4.00 · 9.1%
Rh
10.00 · 22.7%
Energy & Stability
Energy above hull
0.0039
eV/atom
Formation energy
-0.5495
eV/atom
Corrected total energy
-239.4982
eV
Raw total energy
-239.4982
eV
Electronic Structure
Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
39.0357
Total magnetisation
0.0001
μB
Additional Information
Prototype ID
A2B5C15_2_spg160
Decomposition
Dy4CdRh Dy7Rh3
Computed at
2024-12-20 11:18:32
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: agm007988050).
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 agm007988050
data_agm007988050
_cell_length_a 15.09555
_cell_length_b 15.09555
_cell_length_c 15.09555
_cell_angle_alpha 37.48622
_cell_angle_beta 37.48622
_cell_angle_gamma 37.48622
_cell_volume 1142.52405
_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 0.68185 0.06017 0.68185 1.00000
Dy2 Dy 0.68185 0.68185 0.06017 1.00000
Dy3 Dy 0.06017 0.68185 0.68185 1.00000
Dy4 Dy 0.82518 0.22315 0.82518 1.00000
Dy5 Dy 0.82518 0.82518 0.22315 1.00000
Dy6 Dy 0.22315 0.82518 0.82518 1.00000
Dy7 Dy 0.67575 0.29641 0.67575 1.00000
Dy8 Dy 0.67575 0.67575 0.29641 1.00000
Dy9 Dy 0.29641 0.67575 0.67575 1.00000
Dy10 Dy 0.52200 0.15301 0.52200 1.00000
Dy11 Dy 0.52200 0.52200 0.15301 1.00000
Dy12 Dy 0.15301 0.52200 0.52200 1.00000
Dy13 Dy 0.20522 0.57873 0.20522 1.00000
Dy14 Dy 0.20522 0.20522 0.57873 1.00000
Dy15 Dy 0.57873 0.20522 0.20522 1.00000
Dy16 Dy 0.38378 0.01069 0.38378 1.00000
Dy17 Dy 0.38378 0.38378 0.01069 1.00000
Dy18 Dy 0.01069 0.38378 0.38378 1.00000
Dy19 Dy 0.23906 0.86442 0.23906 1.00000
Dy20 Dy 0.23906 0.23906 0.86442 1.00000
Dy21 Dy 0.86442 0.23906 0.23906 1.00000
Dy22 Dy 0.91777 0.29232 0.91777 1.00000
Dy23 Dy 0.91777 0.91777 0.29232 1.00000
Dy24 Dy 0.29232 0.91777 0.91777 1.00000
Dy25 Dy 0.06312 0.43697 0.06312 1.00000
Dy26 Dy 0.06312 0.06312 0.43697 1.00000
Dy27 Dy 0.43697 0.06312 0.06312 1.00000
Dy28 Dy 0.88589 0.88589 0.88589 1.00000
Dy29 Dy 0.73408 0.73408 0.73408 1.00000
Dy30 Dy 0.47636 0.47636 0.47636 1.00000
Cd1 Cd 0.55732 0.88482 0.55732 1.00000
Cd2 Cd 0.55732 0.55732 0.88482 1.00000
Cd3 Cd 0.88482 0.55732 0.55732 1.00000
Cd4 Cd 0.60761 0.60761 0.60761 1.00000
Rh1 Rh 0.36754 0.79664 0.36754 1.00000
Rh2 Rh 0.36754 0.36754 0.79664 1.00000
Rh3 Rh 0.79664 0.36754 0.36754 1.00000
Rh4 Rh 0.06420 0.62948 0.06420 1.00000
Rh5 Rh 0.06420 0.06420 0.62948 1.00000
Rh6 Rh 0.62948 0.06420 0.06420 1.00000
Rh7 Rh 0.91128 0.48556 0.91128 1.00000
Rh8 Rh 0.91128 0.91128 0.48556 1.00000
Rh9 Rh 0.48556 0.91128 0.91128 1.00000
Rh10 Rh 0.99838 0.99838 0.99838 1.00000
