Hf8In4Pd7Au

High-Entropy Materials HEA

MP-ID: mp-3296498 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

Hf8In4Pd7Au

MP-ID

mp-3296498

Elements

Sites

Density

12.4207

g/cm³

Volume

378.22

Å³

Cell a

7.4330

Cell b

7.4330

Cell c

6.8458

α Angle

89.98

β Angle

89.98

γ Angle

89.85

Space Group

Point Group

Crystal System

Monoclinic

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
11.91	7.4330	2.3	(1,0,0)
16.85	5.2627	12.0	(1,1,0)
16.89	5.2491	17.5	(1,-1,0)
17.61	5.0362	1.1	(1,0,1)
17.62	5.0348	1.5	(1,0,-1)
21.29	4.1732	1.1	(1,1,1)
21.33	4.1655	1.1	(1,-1,1)
23.94	3.7165	11.2	(2,0,0)
26.79	3.3276	8.1	(2,1,0)
26.85	3.3207	9.0	(2,-1,0)
29.86	2.9923	1.8	(2,1,-1)
29.91	2.9876	1.5	(2,-1,-1)
31.16	2.8699	8.3	(1,1,2)
31.18	2.8688	5.7	(1,1,-2)
31.20	2.8672	8.0	(1,-1,2)
34.07	2.6314	13.9	(2,2,0)
34.16	2.6246	23.0	(2,-2,0)
35.65	2.5181	48.0	(2,0,2)
35.67	2.5174	56.6	(2,0,-2)
36.58	2.4565	4.5	(2,2,1)
36.59	2.4558	4.3	(2,2,-1)
36.67	2.4506	9.6	(2,-2,1)
37.69	2.3864	99.1	(2,1,2)
37.71	2.3855	93.9	(2,1,-2)

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Energy Properties

Formation Energy/atom

-0.68277

eV/atom

Energy/atom

-33.82446

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-33.8245

eV/atom

Volume/atom

18.91

Å³

c/a Ratio

0.9210

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0018

μB

Mag. Ordering

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

Hf · 0.400

Element Family

5d-TM

Solute Fraction

0.600

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2056

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.0236

J/mol·K

Ω Parameter

0.4674

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.956%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4275

smaller = more stable mixing

VEC

6.250

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-38.492

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8697

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfomk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296498

Reference Citation

The crystal structure and related material properties of Hf8In4Pd7Au were obtained from the Materials Project database (MP-ID: mp-3296498, 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_Hf8In4Pd7Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.43299824
_cell_length_b   7.43299824
_cell_length_c   6.84578707
_cell_angle_alpha   89.98331212
_cell_angle_beta   89.98331212
_cell_angle_gamma   89.85180459
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf8In4Pd7Au
_chemical_formula_sum   'Hf8 In4 Pd7 Au1'
_cell_volume   378.22476169
_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
  Hf  Hf0  1  0.14665280  0.14665280  0.99753084  1.0
  Hf  Hf1  1  0.84835717  0.84835717  0.00066547  1.0
  Hf  Hf2  1  0.65407125  0.35178457  0.50395968  1.0
  Hf  Hf3  1  0.35178457  0.65407125  0.50395968  1.0
  Hf  Hf4  1  0.68997718  0.31429394  0.99716456  1.0
  Hf  Hf5  1  0.31429394  0.68997718  0.99716456  1.0
  Hf  Hf6  1  0.81490812  0.81490812  0.49974244  1.0
  Hf  Hf7  1  0.18231803  0.18231803  0.50279580  1.0
  In  In8  1  0.50120480  0.99627006  0.25080207  1.0
  In  In9  1  0.49998241  0.00174773  0.74979695  1.0
  In  In10  1  0.99627006  0.50120480  0.25080207  1.0
  In  In11  1  0.00174773  0.49998241  0.74979695  1.0
  Pd  Pd12  1  0.63070091  0.63070091  0.78467518  1.0
  Pd  Pd13  1  0.63036850  0.63036850  0.21580874  1.0
  Pd  Pd14  1  0.86911439  0.12930735  0.71449134  1.0
  Pd  Pd15  1  0.86914694  0.13021384  0.28445152  1.0
  Pd  Pd16  1  0.36987398  0.36987398  0.78463196  1.0
  Pd  Pd17  1  0.13021384  0.86914694  0.28445152  1.0
  Pd  Pd18  1  0.12930735  0.86911439  0.71449134  1.0
  Au  Au19  1  0.36971003  0.36971003  0.21281733  1.0

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