HoInRh

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-11104 · Space group: P-62m (#189)

Materials Project API

Basic Information

Formula

HoInRh

MP-ID

mp-11104

Elements

Sites

Density

10.1640

g/cm³

Volume

187.55

Å³

Cell a

7.4367

Cell b

7.4367

Cell c

3.9159

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-62m

Point Group

-6m2

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

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
23.93	3.7183	1.6	(1,1,-2,0)
27.70	3.2202	6.3	(2,0,-2,0)
33.23	2.6964	100.0	(2,-1,-1,1)
36.11	2.4872	27.5	(0,2,-2,1)
36.11	2.4872	54.9	(2,0,-2,1)
36.93	2.4342	29.8	(2,1,-3,0)
36.93	2.4342	14.9	(3,-1,-2,0)
42.09	2.1468	33.8	(3,0,-3,0)
43.79	2.0673	19.3	(3,-1,-2,1)
46.38	1.9579	23.9	(0,0,0,2)
49.00	1.8592	3.0	(4,-2,-2,0)
51.14	1.7862	12.7	(4,-1,-3,0)
54.65	1.6795	3.4	(4,-2,-2,1)
54.88	1.6730	2.0	(2,0,-2,2)
56.64	1.6251	16.5	(4,-1,-3,1)
57.22	1.6101	1.4	(4,0,-4,0)
60.70	1.5257	20.6	(3,-1,-2,2)
62.36	1.4891	1.8	(4,0,-4,1)
62.90	1.4775	2.7	(5,-2,-3,0)
64.40	1.4466	18.8	(3,0,-3,2)
66.53	1.4054	3.6	(5,-1,-4,0)
67.79	1.3824	18.8	(3,2,-5,1)
67.79	1.3824	9.4	(5,-2,-3,1)
69.75	1.3482	2.0	(4,-2,-2,2)

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Energy Properties

Formation Energy/atom

-0.74524

eV/atom

Energy/atom

-5.65230

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-27.3814

eV/atom

Volume/atom

20.84

Å³

c/a Ratio

0.5266

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

98.675

GPa

G_VRH

30.802

GPa

Young's Modulus E

83.697

GPa

Poisson Ratio ν

0.359

Pugh Ratio K/G

3.204

Vickers Hardness Est.

0.804

GPa

Ductility

Brittle

Anisotropy

0.747

Lame λ

78.140

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ho · 0.333

Element Family

Lanthanide

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

2.3859

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.184%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4288

smaller = more stable mixing

VEC

7.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

5.616

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.430

Family

Ho-rich Multi-Component

Matrix Element

Ho · 0.333

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.7470

Homogeneous Poisson ν

0.3590

Debye Temperature

255.8

Sound Velocity

1,959.5

m/s

Homogeneity

0.3590

Related Tasks

Related computation task IDs (5)

aaadnawa aaadszju aaaemuhg aaaeuamg aaafxdoq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-11104

Reference Citation

The crystal structure and related material properties of HoInRh were obtained from the Materials Project database (MP-ID: mp-11104, 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_HoInRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.43665979
_cell_length_b   7.43666028
_cell_length_c   3.91584511
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999787
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoInRh
_chemical_formula_sum   'Ho3 In3 Rh3'
_cell_volume   187.54781234
_cell_formula_units_Z   3
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
  Ho  Ho0  1  -0.00000000  0.40612635  0.50000000  1.0
  Ho  Ho1  1  0.59387365  0.59387365  0.50000000  1.0
  Ho  Ho2  1  0.40612635  0.00000000  0.50000000  1.0
  In  In3  1  0.25667197  0.25667197  0.00000000  1.0
  In  In4  1  0.00000000  0.74332803  0.00000000  1.0
  In  In5  1  0.74332803  0.00000000  -0.00000000  1.0
  Rh  Rh6  1  0.33333300  0.66666700  -0.00000000  1.0
  Rh  Rh7  1  -0.00000000  0.00000000  0.50000000  1.0
  Rh  Rh8  1  0.66666700  0.33333300  0.00000000  1.0

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