YbRh3C

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-10716 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula

YbRh3C

MP-ID

mp-10716

Elements

Sites

Density

11.7173

g/cm³

Volume

69.97

Å³

Cell a

4.1208

Cell b

4.1208

Cell c

4.1208

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pm-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Yes

Packing Fraction

0.5236

X-ray Diffraction

Diffraction Pattern

Target / Radiation

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

Diffraction Peaks (Top 12)

2θ	d (Å)	I	hkl
21.56	4.1208	3.4	(1,0,0)
30.68	2.9138	6.5	(1,1,0)
37.81	2.3791	100.0	(1,1,1)
43.94	2.0604	53.1	(2,0,0)
49.46	1.8429	2.0	(2,1,0)
54.55	1.6823	2.6	(2,1,1)
63.90	1.4569	34.2	(2,2,0)
68.28	1.3736	1.1	(2,2,1)
72.54	1.3031	1.1	(3,1,0)
76.70	1.2425	37.6	(3,1,1)
80.79	1.1896	11.6	(2,2,2)
88.85	1.1013	1.4	(3,2,1)

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Energy Properties

Formation Energy/atom

-0.61928

eV/atom

Energy/atom

-24.39634

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-24.3963

eV/atom

Volume/atom

13.99

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

186.655

GPa

G_VRH

80.247

GPa

Young's Modulus E

210.565

GPa

Poisson Ratio ν

0.312

Pugh Ratio K/G

2.326

Vickers Hardness Est.

6.687

GPa

Ductility

Brittle

Anisotropy

0.284

Lame λ

133.157

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Rh · 0.600

Element Family

4d-TM

Solute Fraction

0.400

Interstitial Fraction

0.200

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9503

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.9005

J/mol·K

Ω Parameter

1.7255

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

23.882%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5098

smaller = more stable mixing

VEC

9.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-10.651

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8650

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.534

Family

Interstitial Alloy

Matrix Element

Rh · 0.600

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.2840

Homogeneous Poisson ν

0.3120

Debye Temperature

417.5

Sound Velocity

2,927.6

m/s

Homogeneity

0.3120

Related Tasks

Related computation task IDs (5)

aaadmlft aaadtafj aaaeqsuc aaafssmw aaahazxq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-10716

Reference Citation

The crystal structure and related material properties of YbRh3C were obtained from the Materials Project database (MP-ID: mp-10716, 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_YbRh3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.12079286
_cell_length_b   4.12079286
_cell_length_c   4.12079286
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbRh3C
_chemical_formula_sum   'Yb1 Rh3 C1'
_cell_volume   69.97491075
_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
  Yb  Yb0  1  0.00000000  0.00000000  0.00000000  1.0
  Rh  Rh1  1  0.00000000  0.50000000  0.50000000  1.0
  Rh  Rh2  1  0.50000000  0.50000000  0.00000000  1.0
  Rh  Rh3  1  0.50000000  0.00000000  0.50000000  1.0
  C  C4  1  0.50000000  0.50000000  0.50000000  1.0

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