Basic Information
Formula
Ce4Si3Rh4
MP-ID
mp-1006390
Elements
3
Sites
22
Density
8.1597
g/cm³
Volume
429.94
ų
Cell a
10.6713
Å
Cell b
10.6713
Å
Cell c
7.9045
Å
α Angle
70.60
°
β Angle
70.60
°
γ Angle
30.58
°
Space Group
C2/c
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mC
Stability
Yes
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 16.40 | 5.4041 | 2.5 | (1,0,0) |
| 19.37 | 4.5836 | 8.0 | (1,0,1) |
| 20.96 | 4.2387 | 6.4 | (2,1,0) |
| 21.25 | 4.1810 | 9.3 | (1,0,-1) |
| 21.66 | 4.1027 | 3.7 | (2,1,1) |
| 24.71 | 3.6027 | 49.6 | (2,2,2) |
| 26.47 | 3.3667 | 2.8 | (2,1,-1) |
| 27.14 | 3.2856 | 9.9 | (3,2,1) |
| 27.69 | 3.2212 | 2.1 | (3,3,0) |
| 27.83 | 3.2063 | 3.1 | (1,0,2) |
| 28.14 | 3.1706 | 15.8 | (2,1,2) |
| 28.59 | 3.1226 | 2.2 | (1,1,-2) |
| 29.82 | 2.9964 | 4.3 | (3,3,2) |
| 30.51 | 2.9300 | 49.8 | (1,0,-2) |
| 31.39 | 2.8502 | 3.5 | (3,2,2) |
| 31.80 | 2.8143 | 1.2 | (1,-1,0) |
| 33.61 | 2.6663 | 13.8 | (3,2,-1) |
| 34.07 | 2.6314 | 100.0 | (1,-1,1) |
| 34.42 | 2.6057 | 56.9 | (4,3,1) |
| 35.21 | 2.5491 | 73.1 | (2,2,-2) |
| 35.59 | 2.5229 | 5.6 | (2,1,-2) |
| 36.24 | 2.4789 | 13.5 | (4,3,0) |
| 36.74 | 2.4462 | 5.5 | (4,4,2) |
| 36.85 | 2.4395 | 65.6 | (3,1,1) |
Energy Properties
Formation Energy/atom
-0.93145
eV/atom
Energy/atom
-7.24790
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-7.2479
eV/atom
Volume/atom
19.54
ų
c/a Ratio
0.7407
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
3.8144
μB
Mag. Ordering
FM
Mag. Sites
8
Magnetization/Volume
0.008870
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ce · 0.364
Element Family
Lanthanide
Solute Fraction
0.636
Interstitial Fraction
0.273
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0901
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.0628
J/mol·K
Ω Parameter
0.4128
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
19.492%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5026
smaller = more stable mixing
VEC
5.455
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-36.490
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9922
SS Former
0
Phase Tendency
AM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1006390
Reference Citation
The crystal structure and related material properties of Ce4Si3Rh4 were obtained from the Materials Project database (MP-ID: mp-1006390, 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
3D Crystal Structure Rendering
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Raw CIF Data
# generated using pymatgen
data_Ce4Si3Rh4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.67127842
_cell_length_b 10.67127842
_cell_length_c 7.90445046
_cell_angle_alpha 70.59499657
_cell_angle_beta 70.59499657
_cell_angle_gamma 30.58232375
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ce4Si3Rh4
_chemical_formula_sum 'Ce8 Si6 Rh8'
_cell_volume 429.94061623
_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 0.78569500 0.55306200 0.59823800 1.0
Ce Ce1 1 0.44693800 0.21430500 0.90176200 1.0
Ce Ce2 1 0.21430500 0.44693800 0.40176200 1.0
Ce Ce3 1 0.55306200 0.78569500 0.09823800 1.0
Ce Ce4 1 0.79860600 0.07208400 0.17024800 1.0
Ce Ce5 1 0.92791600 0.20139400 0.32975200 1.0
Ce Ce6 1 0.20139400 0.92791600 0.82975200 1.0
Ce Ce7 1 0.07208400 0.79860600 0.67024800 1.0
Si Si8 1 0.94423800 0.71222500 0.05935000 1.0
Si Si9 1 0.28777500 0.05576200 0.44065000 1.0
Si Si10 1 0.05576200 0.28777500 0.94065000 1.0
Si Si11 1 0.71222500 0.94423800 0.55935000 1.0
Si Si12 1 0.64279600 0.35720400 0.75000000 1.0
Si Si13 1 0.35720400 0.64279600 0.25000000 1.0
Rh Rh14 1 0.56835700 0.30340400 0.52226400 1.0
Rh Rh15 1 0.69659600 0.43164300 0.97773600 1.0
Rh Rh16 1 0.43164300 0.69659600 0.47773600 1.0
Rh Rh17 1 0.30340400 0.56835700 0.02226400 1.0
Rh Rh18 1 0.63295600 0.92694700 0.31731600 1.0
Rh Rh19 1 0.07305300 0.36704400 0.18268400 1.0
Rh Rh20 1 0.36704400 0.07305300 0.68268400 1.0
Rh Rh21 1 0.92694700 0.63295600 0.81731600 1.0
