HoZnIn

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1018729 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

HoZnIn

MP-ID

mp-1018729

Elements

Sites

Density

8.6240

g/cm³

Volume

132.92

Å³

Cell a

4.6089

Cell b

4.6086

Cell c

7.2261

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

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
22.27	3.9913	9.7	(1,0,-1,0)
22.27	3.9911	4.8	(0,1,-1,0)
25.49	3.4938	4.7	(1,0,-1,1)
25.50	3.4936	2.4	(0,1,-1,1)
33.45	2.6786	100.0	(1,0,-1,2)
33.45	2.6785	50.0	(0,1,-1,2)
39.09	2.3044	30.5	(2,-1,-1,0)
39.09	2.3043	61.0	(1,1,-2,0)
43.90	2.0623	1.1	(1,0,-1,3)
50.52	1.8065	14.4	(0,0,0,4)
52.37	1.7469	13.9	(2,0,-2,2)
52.37	1.7469	13.9	(2,-2,0,2)
52.38	1.7468	13.9	(0,2,-2,2)
55.86	1.6458	1.8	(1,0,-1,4)
65.67	1.4217	12.8	(2,-1,-1,4)
65.67	1.4217	12.8	(1,1,-2,4)
65.67	1.4217	12.8	(1,-2,1,4)
67.25	1.3921	13.0	(3,-1,-2,2)
67.26	1.3921	6.5	(2,1,-3,2)
67.26	1.3921	6.5	(2,-3,1,2)
67.26	1.3921	6.5	(1,2,-3,2)
67.26	1.3921	6.5	(1,-3,2,2)
70.82	1.3304	10.2	(3,0,-3,0)
70.83	1.3304	5.1	(0,3,-3,0)

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Energy Properties

Formation Energy/atom

-0.41559

eV/atom

Energy/atom

-3.28779

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-21.9830

eV/atom

Volume/atom

22.15

Å³

c/a Ratio

1.5679

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

2.3025

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.184%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2347

smaller = more stable mixing

VEC

8.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.777

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)

aaadmogm aaadsyyq aaaemlkw aaaeunqa aaafjkmj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1018729

Reference Citation

The crystal structure and related material properties of HoZnIn were obtained from the Materials Project database (MP-ID: mp-1018729, 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_HoZnIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.60887277
_cell_length_b   4.60861443
_cell_length_c   7.22606278
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00184711
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoZnIn
_chemical_formula_sum   'Ho2 Zn2 In2'
_cell_volume   132.91970620
_cell_formula_units_Z   2
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  -0.00000000  0.50000000  1.0
  Ho  Ho1  1  -0.00000000  -0.00000000  -0.00000000  1.0
  Zn  Zn2  1  0.33315171  0.66630143  0.75000000  1.0
  Zn  Zn3  1  0.66684829  0.33369857  0.25000000  1.0
  In  In4  1  0.33348378  0.66696756  0.25000000  1.0
  In  In5  1  0.66651622  0.33303244  0.75000000  1.0

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