Ho3InC

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-10356 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula

Ho3InC

MP-ID

mp-10356

Elements

Sites

Density

6.0059

g/cm³

Volume

171.87

Å³

Cell a

5.5599

Cell b

5.5599

Cell c

5.5599

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

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 17)

2θ	d (Å)	I	hkl
15.94	5.5599	100.0	(1,0,0)
22.62	3.9314	1.3	(1,1,0)
27.79	3.2100	72.8	(1,1,1)
32.20	2.7799	97.1	(2,0,0)
36.12	2.4865	54.5	(2,1,0)
46.18	1.9657	71.1	(2,2,0)
49.16	1.8533	28.5	(2,2,1)
54.76	1.6764	33.4	(3,1,1)
57.41	1.6050	24.7	(2,2,2)
59.99	1.5420	12.5	(3,2,0)
67.37	1.3900	11.4	(4,0,0)
69.74	1.3485	16.0	(4,1,0)
74.37	1.2755	13.6	(3,3,1)
76.65	1.2432	31.6	(4,2,0)
78.90	1.2133	11.4	(4,2,1)
85.57	1.1349	24.3	(4,2,2)
87.78	1.1120	5.6	(4,3,0)

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Energy Properties

Formation Energy/atom

1.61326

eV/atom

Energy/atom

-3.54338

eV/atom

Energy above Hull

1.9561

eV/atom

Uncorrected Energy

-3.5434

eV/atom

Volume/atom

34.37

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0001

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

39.666

GPa

G_VRH

12.289

GPa

Young's Modulus E

33.416

GPa

Poisson Ratio ν

0.360

Pugh Ratio K/G

3.228

Vickers Hardness Est.

0.000

GPa

Ductility

Brittle

Anisotropy

66.779

Lame λ

31.473

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ho · 0.600

Element Family

Lanthanide

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

4.8915

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

25.049%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5188

smaller = more stable mixing

VEC

8.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.054

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8650

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.374

Family

Interstitial Alloy

Matrix Element

Ho · 0.600

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

66.7790

Homogeneous Poisson ν

0.3600

Debye Temperature

250.4

Sound Velocity

1,610.4

m/s

Homogeneity

0.3600

Related Tasks

Related computation task IDs (5)

aaadmvbm aaadslze aaaeuhtz aaafapnh aaafijom

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-10356

Reference Citation

The crystal structure and related material properties of Ho3InC were obtained from the Materials Project database (MP-ID: mp-10356, 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…

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Raw CIF Data

# generated using pymatgen
data_Ho3InC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55988500
_cell_length_b   5.55988500
_cell_length_c   5.55988500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho3InC
_chemical_formula_sum   'Ho3 In1 C1'
_cell_volume   171.86895103
_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
  Ho  Ho0  1  0.50000000  0.00000000  0.50000000  1.0
  Ho  Ho1  1  0.50000000  0.50000000  0.00000000  1.0
  Ho  Ho2  1  0.00000000  0.50000000  0.50000000  1.0
  In  In3  1  0.50000000  0.50000000  0.50000000  1.0
  C  C4  1  0.00000000  0.00000000  0.00000000  1.0

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