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CeSi2Rh

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1025411 · Space group: Cmcm (#63)

Basic Information

Formula
CeSi2Rh
MP-ID
mp-1025411
Elements
3
Sites
8
Density
6.7486
g/cm³
Volume
147.24
ų
Cell a
8.6836
Å
Cell b
8.6836
Å
Cell c
4.1591
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
152.00
°
Space Group
Cmcm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic C
Stability
No
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
10.50 8.4257 16.0 (1,-1,0)
21.09 4.2128 25.6 (2,-2,0)
21.80 4.0768 5.2 (1,0,0)
23.86 3.7295 5.2 (1,-1,1)
26.49 3.3645 1.7 (2,-1,0)
30.20 2.9597 43.4 (2,-2,1)
30.71 2.9114 100.0 (1,0,1)
34.10 2.6290 78.5 (3,-2,0)
34.28 2.6158 68.4 (2,-1,1)
38.68 2.3276 32.8 (3,-3,1)
40.60 2.2223 16.8 (3,-2,1)
43.06 2.1008 35.4 (1,1,0)
43.52 2.0795 34.3 (0,0,2)
48.42 1.8800 6.1 (3,-1,0)
48.44 1.8792 20.0 (4,-4,1)
48.84 1.8647 5.9 (2,-2,2)
49.18 1.8525 1.4 (1,0,2)
49.82 1.8304 1.6 (2,0,1)
53.49 1.7131 17.3 (3,-1,1)
53.59 1.7102 22.3 (5,-4,0)
54.45 1.6851 2.0 (5,-5,0)
56.42 1.6310 36.5 (3,-2,2)
58.34 1.5817 7.2 (5,-4,1)
59.16 1.5618 5.2 (5,-5,1)
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Energy Properties

Formation Energy/atom
-0.92303
eV/atom
Energy/atom
-6.96100
eV/atom
Energy above Hull
0.0181
eV/atom
Uncorrected Energy
-6.9610
eV/atom
Volume/atom
18.40
ų
c/a Ratio
-

Electronic Properties

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

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0366
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000250
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Si · 0.500
Element Family
Metalloid-Nonmetal
Solute Fraction
0.500
Interstitial Fraction
0.500

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0397
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.6442
J/mol·K
Ω Parameter
0.4658
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
20.158%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4221
smaller = more stable mixing
VEC
5.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-30.984
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9464
SS Former
0
Phase Tendency
AM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.497
Family
Interstitial Alloy
Matrix Element
Si · 0.500

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1025411
Reference Citation

The crystal structure and related material properties of CeSi2Rh were obtained from the Materials Project database (MP-ID: mp-1025411, 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_CeSi2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.68361625
_cell_length_b   8.68361625
_cell_length_c   4.15908800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   151.99930509
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeSi2Rh
_chemical_formula_sum   'Ce2 Si4 Rh2'
_cell_volume   147.23753988
_cell_formula_units_Z   2
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  0.60578100  0.39421900  0.25000000  1.0
  Ce  Ce1  1  0.39421900  0.60578100  0.75000000  1.0
  Si  Si2  1  0.96297300  0.03702700  0.25000000  1.0
  Si  Si3  1  0.03702700  0.96297300  0.75000000  1.0
  Si  Si4  1  0.25064700  0.74935300  0.25000000  1.0
  Si  Si5  1  0.74935300  0.25064700  0.75000000  1.0
  Rh  Rh6  1  0.82223500  0.17776500  0.25000000  1.0
  Rh  Rh7  1  0.17776500  0.82223500  0.75000000  1.0
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