HoInCo2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1079173 · Space group: Pmma (#51)

Materials Project API

Basic Information

Formula

HoInCo2

MP-ID

mp-1079173

Elements

Sites

Density

9.2503

g/cm³

Volume

142.75

Å³

Cell a

4.0474

Cell b

4.9912

Cell c

7.0664

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pmma

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

Packing Fraction

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
12.53	7.0664	1.8	(0,0,1)
21.80	4.0768	2.0	(0,1,1)
21.96	4.0474	2.5	(1,0,0)
25.21	3.5332	9.5	(0,0,2)
25.36	3.5121	1.5	(1,0,1)
31.14	2.8723	100.0	(1,1,1)
33.67	2.6617	20.2	(1,0,2)
35.99	2.4956	27.5	(0,2,0)
38.21	2.3555	17.5	(0,0,3)
38.25	2.3532	6.9	(0,2,1)
38.32	2.3486	60.0	(1,1,2)
42.43	2.1302	24.5	(0,1,3)
42.56	2.1243	12.7	(1,2,0)
44.44	2.0384	20.4	(0,2,2)
44.50	2.0358	4.1	(1,0,3)
44.54	2.0343	17.6	(1,2,1)
44.78	2.0237	30.7	(2,0,0)
48.28	1.8851	16.8	(1,1,3)
52.08	1.7561	2.8	(2,0,2)
53.49	1.7130	3.2	(0,2,3)
56.87	1.6191	2.4	(1,0,4)
58.74	1.5719	13.1	(2,2,0)
60.07	1.5401	5.9	(1,1,4)
60.30	1.5350	8.9	(2,0,3)

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Energy Properties

Formation Energy/atom

-0.23542

eV/atom

Energy/atom

-5.64134

eV/atom

Energy above Hull

0.0048

eV/atom

Uncorrected Energy

-5.6413

eV/atom

Volume/atom

17.84

Å³

c/a Ratio

1.7459

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

4.4948

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.031490

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Co · 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

1.4234

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

15.658%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2701

smaller = more stable mixing

VEC

8.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

8.653

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.630

Family

Co-based Alloy

Matrix Element

Co · 0.500

Related Tasks

Related computation task IDs (4)

aaadmnlm aaadsopr aaaeuhsl aaaezqyk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1079173

Reference Citation

The crystal structure and related material properties of HoInCo2 were obtained from the Materials Project database (MP-ID: mp-1079173, 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_HoInCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04743900
_cell_length_b   4.99118800
_cell_length_c   7.06644500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoInCo2
_chemical_formula_sum   'Ho2 In2 Co4'
_cell_volume   142.75299336
_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  0.50000000  0.75000000  0.72173700  1.0
  Ho  Ho1  1  0.50000000  0.25000000  0.27826300  1.0
  In  In2  1  0.00000000  0.75000000  0.34924300  1.0
  In  In3  1  0.00000000  0.25000000  0.65075700  1.0
  Co  Co4  1  0.00000000  0.00000000  0.00000000  1.0
  Co  Co5  1  0.00000000  0.50000000  0.00000000  1.0
  Co  Co6  1  0.50000000  0.75000000  0.09553700  1.0
  Co  Co7  1  0.50000000  0.25000000  0.90446300  1.0

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