Y2GeRh3

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-10214 · Space group: R-3m (#166)

Materials Project API

Basic Information

Formula

Y2GeRh3

MP-ID

mp-10214

Elements

Sites

Density

8.7497

g/cm³

Volume

106.12

Å³

Cell a

5.0880

Cell b

5.0880

Cell c

5.0880

α Angle

66.47

β Angle

66.47

γ Angle

66.47

Space Group

R-3m

Point Group

-3m

Crystal System

Trigonal

Bravais Lattice

Stability

Yes

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
19.86	4.4710	12.3	(1,0,0)
22.57	3.9395	10.5	(1,1,1)
23.79	3.7397	4.3	(1,1,0)
32.10	2.7886	18.1	(1,-1,0)
32.10	2.7886	9.1	(1,0,-1)
35.62	2.5204	26.4	(2,1,1)
35.62	2.5204	13.2	(1,1,2)
38.03	2.3661	100.0	(1,1,-1)
39.60	2.2761	45.2	(1,2,0)
39.60	2.2761	90.4	(2,1,0)
40.35	2.2355	30.8	(0,2,0)
40.35	2.2355	61.7	(2,0,0)
42.58	2.1231	45.6	(2,2,1)
46.08	1.9697	25.5	(2,2,2)
48.70	1.8699	16.6	(2,2,0)
50.59	1.8042	2.1	(2,0,-1)
54.31	1.6892	4.6	(3,1,1)
57.22	1.6100	1.7	(1,-2,1)
57.22	1.6100	3.3	(2,-1,-1)
59.52	1.5530	5.7	(1,3,0)
59.52	1.5530	11.4	(3,1,0)
62.30	1.4903	34.6	(3,0,0)
64.50	1.4448	21.5	(3,2,0)
64.50	1.4448	4.3	(0,2,3)

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Energy Properties

Formation Energy/atom

-0.86256

eV/atom

Energy/atom

-7.48492

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-22.0820

eV/atom

Volume/atom

17.69

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

136.722

GPa

G_VRH

50.308

GPa

Young's Modulus E

134.435

GPa

Poisson Ratio ν

0.336

Pugh Ratio K/G

2.718

Vickers Hardness Est.

3.144

GPa

Ductility

Brittle

Anisotropy

1.184

Lame λ

103.183

GPa

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

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0114

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.4088

J/mol·K

Ω Parameter

0.3844

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

15.536%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4775

smaller = more stable mixing

VEC

6.167

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-42.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9206

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.518

Family

Rh-rich Multi-Component

Matrix Element

Rh · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

1.1840

Homogeneous Poisson ν

0.3360

Debye Temperature

307.4

Sound Velocity

2,690.9

m/s

Homogeneity

0.3360

Related Tasks

Related computation task IDs (5)

aaadmtfj aaadsudf aaaelupf aaaeumls aaafssea

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-10214

Reference Citation

The crystal structure and related material properties of Y2GeRh3 were obtained from the Materials Project database (MP-ID: mp-10214, 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_Y2GeRh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08800889
_cell_length_b   5.08800930
_cell_length_c   5.08800873
_cell_angle_alpha   66.46946719
_cell_angle_beta   66.46946249
_cell_angle_gamma   66.46946625
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2GeRh3
_chemical_formula_sum   'Y2 Ge1 Rh3'
_cell_volume   106.12030936
_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
  Y  Y0  1  0.62934334  0.62934334  0.62934334  1.0
  Y  Y1  1  0.37065666  0.37065666  0.37065666  1.0
  Ge  Ge2  1  0.00000000  0.00000000  -0.00000000  1.0
  Rh  Rh3  1  0.00000000  0.00000000  0.50000000  1.0
  Rh  Rh4  1  0.00000000  0.50000000  -0.00000000  1.0
  Rh  Rh5  1  0.50000000  0.00000000  -0.00000000  1.0

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