HoNi4Au

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1077340 · Space group: F-43m (#216)

Materials Project API

Basic Information

Formula

HoNi4Au

MP-ID

mp-1077340

Elements

Sites

Density

12.1399

g/cm³

Volume

81.61

Å³

Cell a

4.8687

Cell b

4.8687

Cell c

4.8687

α Angle

60.01

β Angle

60.00

γ Angle

60.01

Space Group

F-43m

Point Group

-43m

Crystal System

Cubic

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
22.36	3.9756	41.9	(0,1,0)
22.36	3.9755	41.9	(0,0,1)
22.36	3.9755	42.0	(1,0,0)
22.37	3.9751	41.9	(1,1,1)
25.88	3.4428	1.9	(1,0,1)
25.88	3.4428	3.7	(1,1,0)
36.92	2.4345	100.0	(0,1,-1)
36.92	2.4345	100.0	(1,-1,0)
36.92	2.4345	100.0	(1,0,-1)
36.93	2.4344	100.0	(1,2,1)
36.93	2.4343	100.0	(1,1,2)
36.93	2.4343	100.0	(2,1,1)
43.59	2.0762	71.7	(1,-1,1)
43.59	2.0762	71.7	(1,1,-1)
43.59	2.0762	71.7	(1,-1,-1)
43.60	2.0761	71.7	(1,2,0)
43.60	2.0761	71.7	(0,2,1)
43.60	2.0761	71.7	(1,0,2)
43.60	2.0761	71.7	(0,1,2)
43.60	2.0761	71.7	(2,0,1)
43.60	2.0761	71.7	(2,1,0)
43.60	2.0760	71.7	(1,2,2)
43.60	2.0760	71.7	(2,2,1)
43.60	2.0760	71.7	(2,1,2)

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Energy Properties

Formation Energy/atom

-0.39430

eV/atom

Energy/atom

-5.55965

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-22.2746

eV/atom

Volume/atom

13.60

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.2146

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.002630

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

0.000

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

3.3753

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.971%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3783

smaller = more stable mixing

VEC

10.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.556

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)

aaadmptf aaadsrig aaaemmgw aaaeuuhg aaafssfj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1077340

Reference Citation

The crystal structure and related material properties of HoNi4Au were obtained from the Materials Project database (MP-ID: mp-1077340, 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_HoNi4Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86864760
_cell_length_b   4.86870629
_cell_length_c   4.86867176
_cell_angle_alpha   60.00537618
_cell_angle_beta   60.00496290
_cell_angle_gamma   60.00520718
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoNi4Au
_chemical_formula_sum   'Ho1 Ni4 Au1'
_cell_volume   81.61470883
_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  0.00001067  0.99998978  1.00000146  1.0
  Ni  Ni1  1  0.62409550  0.62408896  0.12772714  1.0
  Ni  Ni2  1  0.62409270  0.12773068  0.62409063  1.0
  Ni  Ni3  1  0.12772480  0.62409061  0.62409411  1.0
  Ni  Ni4  1  0.62409210  0.62408554  0.62408940  1.0
  Au  Au5  1  0.24998324  0.25001443  0.24999726  1.0

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