Ho2InNi2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1078878 · Space group: P4/mbm (#127)

Materials Project API

Basic Information

Formula

Ho2InNi2

MP-ID

mp-1078878

Elements

Sites

Density

9.8671

g/cm³

Volume

189.18

Å³

Cell a

3.5206

Cell b

7.3305

Cell c

7.3305

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4/mbm

Point Group

4/mmm

Crystal System

Tetragonal

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
24.28	3.6652	4.8	(0,2,0)
25.30	3.5206	3.3	(1,0,0)
27.20	3.2783	21.0	(0,2,1)
27.20	3.2783	21.0	(0,2,-1)
30.70	2.9124	9.4	(1,1,1)
30.70	2.9124	9.4	(1,1,-1)
34.61	2.5917	13.7	(0,2,2)
34.61	2.5917	13.7	(0,2,-2)
35.35	2.5390	100.0	(1,2,0)
37.49	2.3992	88.7	(1,2,1)
37.49	2.3992	88.7	(1,2,-1)
38.85	2.3181	40.0	(0,3,1)
38.85	2.3181	40.0	(0,3,-1)
44.57	2.0331	5.1	(0,3,2)
44.57	2.0331	5.1	(0,3,-2)
49.75	1.8326	2.5	(0,4,0)
51.39	1.7779	14.3	(0,4,1)
51.39	1.7779	14.3	(0,4,-1)
51.94	1.7606	1.2	(1,3,2)
51.94	1.7606	1.2	(1,3,-2)
51.95	1.7603	26.8	(2,0,0)
53.00	1.7278	5.0	(0,3,3)
53.00	1.7278	5.0	(0,3,-3)
56.11	1.6391	3.6	(0,4,2)

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Energy Properties

Formation Energy/atom

-0.51250

eV/atom

Energy/atom

-5.21546

eV/atom

Energy above Hull

0.0163

eV/atom

Uncorrected Energy

-5.2155

eV/atom

Volume/atom

18.92

Å³

c/a Ratio

2.0822

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

0.457

Family

Ho-rich Multi-Component

Matrix Element

Ho · 0.400

Related Tasks

Related computation task IDs (6)

aaadhqfp aaadiscb aaadmzfx aaadsntu aaaetyzr aaafcdhv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1078878

Reference Citation

The crystal structure and related material properties of Ho2InNi2 were obtained from the Materials Project database (MP-ID: mp-1078878, 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   3.52060058
_cell_length_b   7.33045619
_cell_length_c   7.33045619
_cell_angle_alpha   89.99990886
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho2InNi2
_chemical_formula_sum   'Ho4 In2 Ni4'
_cell_volume   189.18154212
_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  0.17442507  0.67442507  1.0
  Ho  Ho1  1  0.50000000  0.82557493  0.32557493  1.0
  Ho  Ho2  1  0.50000000  0.32557093  0.17442907  1.0
  Ho  Ho3  1  0.50000000  0.67442907  0.82557093  1.0
  In  In4  1  -0.00000000  0.50000000  0.50000000  1.0
  In  In5  1  -0.00000000  -0.00000000  0.00000000  1.0
  Ni  Ni6  1  0.00000000  0.61848986  0.11848986  1.0
  Ni  Ni7  1  -0.00000000  0.38151014  0.88151014  1.0
  Ni  Ni8  1  -0.00000000  0.88150814  0.61849186  1.0
  Ni  Ni9  1  0.00000000  0.11849186  0.38150814  1.0

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