CrGeRh
High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELAMP-ID: mp-961725 · Space group: F-43m (#216)
Basic Information
Formula
CrGeRh
MP-ID
mp-961725
Elements
3
Sites
3
Density
7.6814
g/cm³
Volume
49.19
ų
Cell a
4.1127
Å
Cell b
4.1127
Å
Cell c
4.1127
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
F-43m
Point Group
-43m
Crystal System
Cubic
Bravais Lattice
cF
Stability
No
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 10)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 26.54 | 3.3580 | 40.3 | (1,1,1) |
| 30.74 | 2.9081 | 18.0 | (1,1,0) |
| 44.04 | 2.0564 | 100.0 | (2,1,1) |
| 52.16 | 1.7537 | 19.0 | (2,2,1) |
| 54.66 | 1.6790 | 4.2 | (2,2,2) |
| 64.04 | 1.4541 | 15.6 | (2,2,0) |
| 70.59 | 1.3343 | 7.7 | (3,2,2) |
| 72.71 | 1.3006 | 5.0 | (3,2,1) |
| 80.98 | 1.1872 | 31.3 | (3,3,2) |
| 87.06 | 1.1193 | 6.1 | (3,3,3) |
Energy Properties
Formation Energy/atom
-0.01458
eV/atom
Energy/atom
-17.70843
eV/atom
Energy above Hull
0.3599
eV/atom
Uncorrected Energy
-7.2170
eV/atom
Volume/atom
16.40
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
3.5377
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.071920
μB/ų
Elastic Properties
KVRH
118.263
GPa
GVRH
8.741
GPa
Young's Modulus E
25.592
GPa
Poisson Ratio ν
0.464
Pugh Ratio K/G
13.530
Vickers Hardness Est.
0.000
GPa
Ductility
Brittle
Anisotropy
13.762
Lame λ
112.436
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Cr · 0.333
Element Family
3d-TM
Solute Fraction
0.667
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0986
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.1339
J/mol·K
Ω Parameter
2.9419
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
2.901%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2538
smaller = more stable mixing
VEC
6.333
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-5.825
kJ/mol; negative = exothermic mixing
Entropy Norm
1.0000
SS Former
1
Phase Tendency
SS
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.395
Family
Cr-rich Multi-Component
Matrix Element
Cr · 0.333
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
13.7620
Homogeneous Poisson ν
0.4640
Debye Temperature
142.7
K
Sound Velocity
1,217.6
m/s
Homogeneity
0.4640
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-961725
Reference Citation
The crystal structure and related material properties of CrGeRh were obtained from the Materials Project database (MP-ID: mp-961725, 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_CrGeRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.11270557
_cell_length_b 4.11270557
_cell_length_c 4.11270557
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CrGeRh
_chemical_formula_sum 'Cr1 Ge1 Rh1'
_cell_volume 49.18898502
_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
Cr Cr0 1 0.50000000 0.50000000 0.50000000 1.0
Ge Ge1 1 0.25000000 0.25000000 0.25000000 1.0
Rh Rh2 1 0.00000000 0.00000000 0.00000000 1.0
