HoSiNi4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1071731 · Space group: Cmmm (#65)

Materials Project API

Basic Information

Formula

HoSiNi4

MP-ID

mp-1071731

Elements

Sites

Density

9.0119

g/cm³

Volume

78.82

Å³

Cell a

4.7482

Cell b

4.7482

Cell c

3.9071

α Angle

90.00

β Angle

90.00

γ Angle

116.51

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
20.91	4.2489	12.8	(1,0,-1,0)
22.76	3.9071	25.6	(0,0,0,1)
31.10	2.8760	38.8	(1,0,-1,1)
31.87	2.8078	55.5	(1,-1,0,1)
35.95	2.4982	16.6	(1,1,-2,0)
37.97	2.3698	54.3	(2,-1,-1,0)
42.55	2.1245	40.4	(2,0,-2,0)
42.97	2.1047	85.6	(1,1,-2,1)
44.73	2.0263	100.0	(2,-1,-1,1)
44.90	2.0189	13.5	(2,-2,0,0)
46.48	1.9536	44.2	(0,0,0,2)
48.79	1.8664	1.6	(2,0,-2,1)
50.91	1.7936	1.9	(2,-2,0,1)
51.49	1.7749	2.9	(1,0,-1,2)
56.41	1.6311	1.1	(2,1,-3,0)
60.13	1.5389	7.5	(1,1,-2,2)
60.22	1.5368	2.1	(3,-2,-1,0)
61.52	1.5074	25.5	(2,-1,-1,2)
61.62	1.5052	5.8	(2,1,-3,1)
63.89	1.4570	10.8	(3,-1,-2,1)
64.84	1.4380	22.6	(2,0,-2,2)
65.24	1.4302	7.8	(3,-2,-1,1)
65.96	1.4163	10.3	(3,0,-3,0)
66.61	1.4039	8.2	(2,-2,0,2)

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Energy Properties

Formation Energy/atom

-0.61599

eV/atom

Energy/atom

-6.13992

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-15.5411

eV/atom

Volume/atom

13.14

Å³

c/a Ratio

0.8229

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

Ni · 0.667

Element Family

3d-TM

Solute Fraction

0.333

Interstitial Fraction

0.167

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8676

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.2129

J/mol·K

Ω Parameter

0.6987

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.996%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2527

smaller = more stable mixing

VEC

9.167

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-17.778

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7897

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.751

Family

Ni-based Alloy

Matrix Element

Ni · 0.667

Related Tasks

Related computation task IDs (5)

aaacizmo aaadrndv aaaemhor aaaeqvaq aaafdgmf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1071731

Reference Citation

The crystal structure and related material properties of HoSiNi4 were obtained from the Materials Project database (MP-ID: mp-1071731, 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_HoSiNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74819057
_cell_length_b   4.74819057
_cell_length_c   3.90712845
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   116.51112977
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoSiNi4
_chemical_formula_sum   'Ho1 Si1 Ni4'
_cell_volume   78.82483731
_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  -0.00000000  0.00000000  -0.00000000  1.0
  Si  Si1  1  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni2  1  0.34089548  0.65910452  0.00000000  1.0
  Ni  Ni3  1  0.65910452  0.34089548  -0.00000000  1.0
  Ni  Ni4  1  0.50000000  0.00000000  0.50000000  1.0
  Ni  Ni5  1  -0.00000000  0.50000000  0.50000000  1.0

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