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Sn2Rh6C

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3202302 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula
Sn2Rh6C
MP-ID
mp-3202302
Elements
3
Sites
9
Density
11.2125
g/cm³
Volume
128.38
ų
Cell a
5.6625
Å
Cell b
5.6625
Å
Cell c
5.6625
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cF
Stability
Yes
Packing Fraction
0.7405

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 9)
2θd (Å)Ihkl
38.96 2.3117 100.0 (2,2,2)
38.96 2.3117 33.3 (0,0,2)
45.30 2.0020 67.9 (2,2,0)
65.99 1.4156 21.8 (4,2,2)
65.99 1.4156 21.8 (2,2,4)
79.37 1.2072 37.6 (4,4,2)
79.37 1.2072 12.5 (2,0,4)
83.67 1.1558 11.5 (4,4,4)
83.67 1.1558 3.8 (0,0,4)
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Energy Properties

Formation Energy/atom
-0.28545
eV/atom
Energy/atom
-22.98067
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-22.9807
eV/atom
Volume/atom
14.26
ų
c/a Ratio
1.0000

Electronic Properties

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

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0048
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000040
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Rh · 0.667
Element Family
4d-TM
Solute Fraction
0.333
Interstitial Fraction
0.111

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8487
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.0560
J/mol·K
Ω Parameter
2.9972
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
15.567%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.1708
smaller = more stable mixing
VEC
7.333
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-4.775
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7725
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.632
Family
Interstitial Alloy
Matrix Element
Rh · 0.667

Related Tasks

Related computation task IDs (1)
aaahafdm

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3202302
Reference Citation

The crystal structure and related material properties of Sn2Rh6C were obtained from the Materials Project database (MP-ID: mp-3202302, 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

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data 
# generated using pymatgen
data_Sn2Rh6C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66244599
_cell_length_b   5.66244601
_cell_length_c   5.66244511
_cell_angle_alpha   59.99999395
_cell_angle_beta   59.99999383
_cell_angle_gamma   59.99999928
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2Rh6C
_chemical_formula_sum   'Sn2 Rh6 C1'
_cell_volume   128.37992332
_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
  Sn  Sn0  1  0.75000000  0.75000000  0.75000000  1.0
  Sn  Sn1  1  0.25000000  0.25000000  0.25000000  1.0
  Rh  Rh2  1  0.75280534  0.75280534  0.24719466  1.0
  Rh  Rh3  1  0.75280534  0.24719466  0.24719466  1.0
  Rh  Rh4  1  0.24719466  0.75280534  0.24719466  1.0
  Rh  Rh5  1  0.24719466  0.24719466  0.75280534  1.0
  Rh  Rh6  1  0.75280534  0.24719466  0.75280534  1.0
  Rh  Rh7  1  0.24719466  0.75280534  0.75280534  1.0
  C  C8  1  0.50000000  0.50000000  0.50000000  1.0
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