HoInNi

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-31426 · Space group: P-62m (#189)

Materials Project API

Basic Information

Formula

HoInNi

MP-ID

mp-31426

Elements

Sites

Density

9.5367

g/cm³

Volume

176.79

Å³

Cell a

7.3932

Cell b

7.3932

Cell c

3.7348

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
24.07	3.6966	2.7	(2,-1,-1,0)
24.07	3.6966	5.5	(1,1,-2,0)
27.65	3.2260	1.5	(1,0,-1,1)
27.65	3.2260	2.9	(1,-1,0,1)
27.87	3.2013	3.0	(2,0,-2,0)
27.87	3.2013	6.1	(2,-2,0,0)
34.13	2.6273	100.0	(2,-1,-1,1)
36.98	2.4306	73.9	(2,0,-2,1)
37.15	2.4200	36.0	(3,-1,-2,0)
37.15	2.4200	18.0	(2,-3,1,0)
42.35	2.1342	7.6	(3,0,-3,0)
42.35	2.1342	15.2	(3,-3,0,0)
44.62	2.0309	10.1	(3,-1,-2,1)
48.77	1.8674	19.3	(0,0,0,2)
49.30	1.8483	1.8	(4,-2,-2,0)
51.46	1.7758	15.3	(4,-1,-3,0)
55.10	1.6668	2.0	(2,-1,-1,2)
55.47	1.6565	2.3	(4,-2,-2,1)
55.47	1.6565	1.1	(2,-4,2,1)
57.10	1.6130	1.7	(2,0,-2,2)
57.46	1.6037	4.1	(4,-1,-3,1)
57.46	1.6037	20.3	(4,-3,-1,1)
57.58	1.6007	2.1	(4,0,-4,0)
57.58	1.6007	1.0	(0,4,-4,0)

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Energy Properties

Formation Energy/atom

-0.49453

eV/atom

Energy/atom

-4.87353

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-23.0383

eV/atom

Volume/atom

19.64

Å³

c/a Ratio

0.5052

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

Elastic data not available

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

1.2118

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.418%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2947

smaller = more stable mixing

VEC

8.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-9.778

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

Related Tasks

Related computation task IDs (5)

aaadnbmk aaadsyba aaaemhky aaaeualw aaafiyah

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-31426

Reference Citation

The crystal structure and related material properties of HoInNi were obtained from the Materials Project database (MP-ID: mp-31426, 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_HoInNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.39318222
_cell_length_b   7.39318141
_cell_length_c   3.73477142
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999905
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoInNi
_chemical_formula_sum   'Ho3 In3 Ni3'
_cell_volume   176.78989424
_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  1.00000000  0.58857861  0.50000000  1.0
  Ho  Ho1  1  0.41142139  0.41142139  0.50000000  1.0
  Ho  Ho2  1  0.58857861  0.00000000  0.50000000  1.0
  In  In3  1  0.25453358  1.00000000  0.00000000  1.0
  In  In4  1  0.74546642  0.74546642  0.00000000  1.0
  In  In5  1  0.00000000  0.25453358  -0.00000000  1.0
  Ni  Ni6  1  0.33333300  0.66666700  0.00000000  1.0
  Ni  Ni7  1  0.00000000  0.00000000  0.50000000  1.0
  Ni  Ni8  1  0.66666700  0.33333300  -0.00000000  1.0

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