HoInCu2

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-30586 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

HoInCu2

MP-ID

mp-30586

Elements

Sites

Density

9.6009

g/cm³

Volume

70.37

Å³

Cell a

4.6340

Cell b

4.6340

Cell c

4.6340

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

Fm-3m

Point Group

m-3m

Crystal System

Cubic

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
23.51	3.7837	4.3	(1,1,1)
23.51	3.7837	1.4	(0,0,1)
27.22	3.2768	9.6	(1,1,0)
27.22	3.2768	19.2	(1,0,1)
38.87	2.3170	66.7	(2,1,1)
38.87	2.3170	100.0	(1,0,-1)
38.87	2.3170	33.3	(1,1,2)
45.93	1.9760	1.3	(2,2,1)
45.93	1.9760	1.3	(2,1,2)
48.10	1.8918	6.3	(2,2,2)
48.10	1.8918	2.1	(0,0,2)
56.14	1.6384	11.1	(2,2,0)
56.14	1.6384	22.2	(2,0,2)
63.48	1.4654	1.9	(3,2,1)
63.48	1.4654	3.9	(3,1,2)
63.48	1.4654	2.9	(2,1,-1)
63.48	1.4654	2.9	(1,-1,-2)
70.38	1.3377	5.5	(3,3,2)
70.38	1.3377	32.9	(3,1,0)
70.38	1.3377	11.0	(2,-1,-1)
70.38	1.3377	5.5	(1,1,-2)
70.38	1.3377	11.0	(1,0,3)
83.43	1.1585	3.4	(2,4,2)
83.43	1.1585	3.4	(4,2,2)

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Energy Properties

Formation Energy/atom

-0.31955

eV/atom

Energy/atom

-4.20836

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-19.6648

eV/atom

Volume/atom

17.59

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

86.981

GPa

G_VRH

41.739

GPa

Young's Modulus E

107.950

GPa

Poisson Ratio ν

0.293

Pugh Ratio K/G

2.084

Vickers Hardness Est.

4.515

GPa

Ductility

Brittle

Anisotropy

0.310

Lame λ

59.155

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Cu · 0.500

Element Family

3d-TM

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0397

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6442

J/mol·K

Ω Parameter

5.2727

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.505%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2772

smaller = more stable mixing

VEC

9.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.634

Family

Cu-based Alloy

Matrix Element

Cu · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.3100

Homogeneous Poisson ν

0.2930

Debye Temperature

316.7

Sound Velocity

2,326.9

m/s

Homogeneity

0.2930

Related Tasks

Related computation task IDs (5)

aaadminb aaadswtj aaaehbmh aaaeuoya aaafcasz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30586

Reference Citation

The crystal structure and related material properties of HoInCu2 were obtained from the Materials Project database (MP-ID: mp-30586, 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_HoInCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63403771
_cell_length_b   4.63403781
_cell_length_c   4.63403590
_cell_angle_alpha   59.99999181
_cell_angle_beta   59.99999107
_cell_angle_gamma   59.99999058
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoInCu2
_chemical_formula_sum   'Ho1 In1 Cu2'
_cell_volume   70.36609426
_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  0.50000000  0.50000000  1.0
  In  In1  1  -0.00000000  -0.00000000  0.00000000  1.0
  Cu  Cu2  1  0.25000000  0.25000000  0.25000000  1.0
  Cu  Cu3  1  0.75000000  0.75000000  0.75000000  1.0

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