DyHoIn2

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-984767 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

DyHoIn2

MP-ID

mp-984767

Elements

Sites

Density

8.9060

g/cm³

Volume

103.87

Å³

Cell a

5.2763

Cell b

5.2763

Cell c

5.2763

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 7)

2θ	d (Å)	I	hkl
23.85	3.7309	3.0	(1,1,0)
33.98	2.6382	100.0	(2,1,1)
48.82	1.8655	17.9	(2,2,0)
55.04	1.6685	1.4	(3,2,1)
60.81	1.5231	36.7	(3,3,2)
71.53	1.3191	11.3	(4,2,2)
81.60	1.1798	15.9	(4,3,1)

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Energy Properties

Formation Energy/atom

-0.44030

eV/atom

Energy/atom

-4.12391

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-28.0894

eV/atom

Volume/atom

25.97

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

57.572

GPa

G_VRH

21.948

GPa

Young's Modulus E

58.420

GPa

Poisson Ratio ν

0.331

Pugh Ratio K/G

2.623

Vickers Hardness Est.

0.942

GPa

Ductility

Brittle

Anisotropy

6.566

Lame λ

42.940

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

In · 0.500

Element Family

PostTransition-Noble

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

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

2.339%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2775

smaller = more stable mixing

VEC

6.750

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.429

Family

In-rich Multi-Component

Matrix Element

In · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

6.5660

Homogeneous Poisson ν

0.3310

Debye Temperature

237.8

Sound Velocity

1,760.5

m/s

Homogeneity

0.3310

Related Tasks

Related computation task IDs (5)

aaadnwcg aaadwcgz aaaeguuc aaaetezg aaafcxap

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-984767

Reference Citation

The crystal structure and related material properties of DyHoIn2 were obtained from the Materials Project database (MP-ID: mp-984767, 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_DyHoIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27630485
_cell_length_b   5.27630485
_cell_length_c   5.27630485
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyHoIn2
_chemical_formula_sum   'Dy1 Ho1 In2'
_cell_volume   103.86629548
_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
  Dy  Dy0  1  0.25000000  0.25000000  0.25000000  1.0
  Ho  Ho1  1  0.75000000  0.75000000  0.75000000  1.0
  In  In2  1  0.00000000  0.00000000  0.00000000  1.0
  In  In3  1  0.50000000  0.50000000  0.50000000  1.0

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