Navigation

HEAS Data Platform · Materials Science Database

CeDy(Si2Rh3)2

High-Entropy Materials HEA

MP-ID: mp-3251244 · Space group: Imm2 (#44)

Basic Information

Formula
CeDy(Si2Rh3)2
MP-ID
mp-3251244
Elements
4
Sites
12
Density
8.9686
g/cm³
Volume
191.15
ų
Cell a
6.6097
Å
Cell b
6.6097
Å
Cell c
6.6097
Å
α Angle
130.30
°
β Angle
114.64
°
γ Angle
86.35
°
Space Group
Imm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic I
Stability
Yes
Packing Fraction
0.6800

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
20.26 4.3842 15.4 (1,-1,0)
24.95 3.5690 8.4 (1,-1,1)
31.18 2.8683 47.8 (0,2,-2)
31.20 2.8669 58.4 (0,1,-2)
31.20 2.8669 58.4 (2,-1,0)
32.18 2.7816 9.0 (2,1,-2)
32.23 2.7778 2.6 (1,-1,-1)
35.92 2.5001 14.5 (1,0,-2)
37.31 2.4101 70.8 (2,2,-2)
37.36 2.4068 63.0 (2,0,-2)
37.36 2.4068 63.0 (0,2,0)
41.14 2.1940 100.0 (1,2,-3)
41.18 2.1921 35.6 (2,-2,0)
41.28 2.1872 6.4 (2,-2,1)
42.82 2.1120 8.8 (2,2,-3)
44.97 2.0159 1.2 (3,0,-2)
45.41 1.9973 11.4 (1,3,-3)
45.45 1.9954 30.2 (3,-1,-1)
45.54 1.9917 20.1 (0,2,-3)
45.54 1.9917 6.7 (2,0,1)
51.19 1.7845 28.4 (2,-2,2)
51.45 1.7761 5.1 (0,1,-3)
54.63 1.6801 15.8 (2,0,-3)
54.86 1.6735 2.0 (1,-3,3)
Get direct link

Energy Properties

Formation Energy/atom
-1.11499
eV/atom
Energy/atom
-21.34289
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-21.3429
eV/atom
Volume/atom
15.93
ų
c/a Ratio
-

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
0.8614
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.004510
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Rh · 0.500
Element Family
4d-TM
Solute Fraction
0.500
Interstitial Fraction
0.333

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.1269
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.3693
J/mol·K
Ω Parameter
1.1754
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
15.583%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3959
smaller = more stable mixing
VEC
6.917
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-15.224
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8129
SS Former
0
Phase Tendency
AM

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3251244
Reference Citation

The crystal structure and related material properties of CeDy(Si2Rh3)2 were obtained from the Materials Project database (MP-ID: mp-3251244, database version v2026.04.13).

Literature Citation

Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_CeDy(Si2Rh3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.60965222
_cell_length_b   6.60965253
_cell_length_c   6.60965266
_cell_angle_alpha   130.29678123
_cell_angle_beta   114.63730582
_cell_angle_gamma   86.35240160
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeDy(Si2Rh3)2
_chemical_formula_sum   'Ce1 Dy1 Si4 Rh6'
_cell_volume   191.14753083
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ce  Ce0  1  0.75000000  0.03962277  0.28962277  1.0
  Dy  Dy1  1  0.25000000  0.95274193  0.70274193  1.0
  Si  Si2  1  0.07999503  0.27479236  0.19479833  1.0
  Si  Si3  1  0.92372120  0.72861091  0.80488971  1.0
  Si  Si4  1  0.42000497  0.61480330  0.19479833  1.0
  Si  Si5  1  0.57627880  0.38116851  0.80488971  1.0
  Rh  Rh6  1  0.49940573  0.49859008  0.49799582  1.0
  Rh  Rh7  1  0.00059427  0.49859008  0.99918335  1.0
  Rh  Rh8  1  0.28296672  0.00048116  0.28802558  1.0
  Rh  Rh9  1  0.71245558  0.00048116  0.71751444  1.0
  Rh  Rh10  1  0.21703328  0.50505886  0.71751444  1.0
  Rh  Rh11  1  0.78754442  0.50505886  0.28802558  1.0
Get direct link