Ho2InNi2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1068024 · Space group: Cmmm (#65)

Materials Project API

Basic Information

Formula

Ho2InNi2

MP-ID

mp-1068024

Elements

Sites

Density

9.4064

g/cm³

Volume

99.22

Å³

Cell a

3.6728

Cell b

3.8280

Cell c

7.3123

α Angle

105.17

β Angle

90.00

γ Angle

90.00

Space Group

Cmmm

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

Yes

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
12.54	7.0574	3.7	(0,0,1)
24.09	3.6946	2.4	(0,1,-1)
24.23	3.6728	2.5	(1,0,0)
25.24	3.5287	9.3	(0,0,2)
27.37	3.2580	2.7	(1,0,1)
30.10	2.9694	43.8	(0,1,-2)
34.43	2.6047	100.0	(1,1,-1)
35.27	2.5446	74.6	(1,0,2)
38.26	2.3525	13.3	(0,0,3)
39.01	2.3091	37.6	(1,1,-2)
39.67	2.2720	33.7	(0,1,-3)
47.03	1.9322	4.6	(1,1,-3)
47.50	1.9140	24.2	(0,2,-1)
49.64	1.8364	21.2	(2,0,0)
51.20	1.7840	11.1	(0,1,-4)
51.82	1.7643	4.3	(0,0,4)
54.54	1.6825	2.4	(0,2,-3)
56.49	1.6290	2.2	(2,0,2)
57.42	1.6047	18.8	(1,1,-4)
57.99	1.5904	5.1	(1,0,4)
59.15	1.5618	13.3	(2,1,-2)
60.53	1.5296	30.8	(1,2,-3)
62.56	1.4847	6.1	(0,2,-4)
64.18	1.4512	1.0	(0,1,-5)

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Energy Properties

Formation Energy/atom

-0.52884

eV/atom

Energy/atom

-5.23180

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-23.0361

eV/atom

Volume/atom

19.84

Å³

c/a Ratio

1.9909

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 · 0.400

Element Family

Lanthanide

Solute Fraction

0.600

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0549

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.7706

J/mol·K

Ω Parameter

1.8323

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

15.593%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3155

smaller = more stable mixing

VEC

9.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-7.040

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9602

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.468

Family

Ho-rich Multi-Component

Matrix Element

Ho · 0.400

Related Tasks

Related computation task IDs (5)

aaacivif aaadsqfs aaaelvxn aaaeuiog aaafxglt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1068024

Reference Citation

The crystal structure and related material properties of Ho2InNi2 were obtained from the Materials Project database (MP-ID: mp-1068024, 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_Ho2InNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67277983
_cell_length_b   3.82804217
_cell_length_c   7.31230282
_cell_angle_alpha   105.17413599
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho2InNi2
_chemical_formula_sum   'Ho2 In1 Ni2'
_cell_volume   99.22331446
_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  0.63789726  0.27579151  1.0
  Ho  Ho1  1  0.50000000  0.36210274  0.72420849  1.0
  In  In2  1  -0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni3  1  -0.00000000  0.80031694  0.60063487  1.0
  Ni  Ni4  1  0.00000000  0.19968306  0.39936513  1.0

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