Hf18FeRe8Pt

High-Entropy Materials HEA

MP-ID: mp-3293532 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

Hf18FeRe8Pt

MP-ID

mp-3293532

Elements

Sites

Density

15.2211

g/cm³

Volume

540.39

Å³

Cell a

8.4823

Cell b

8.5770

Cell c

8.5770

α Angle

120.00

β Angle

90.00

γ Angle

90.00

Space Group

P-6m2

Point Group

-6m2

Crystal System

Hexagonal

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
11.91	7.4279	17.1	(0,1,-1,-1)
11.91	7.4279	34.1	(0,1,-1,0)
15.86	5.5881	1.6	(1,1,-2,0)
20.95	4.2411	5.9	(2,0,-2,0)
23.24	3.8272	1.3	(1,-2,1,1)
24.16	3.6831	4.9	(2,1,-3,-1)
26.19	3.4021	1.9	(1,-2,1,2)
26.19	3.4021	1.9	(1,2,-3,0)
26.19	3.4021	1.9	(1,0,-1,2)
31.88	2.8075	4.9	(0,3,-3,-2)
31.88	2.8075	4.9	(0,2,-2,-3)
31.88	2.8075	9.9	(0,3,-3,-1)
31.88	2.8075	9.9	(0,2,-2,1)
32.03	2.7941	13.9	(2,2,-4,-2)
32.03	2.7941	13.9	(2,2,-4,0)
32.03	2.7941	13.9	(2,0,-2,2)
33.63	2.6653	3.6	(1,3,-4,-2)
33.63	2.6653	3.6	(1,3,-4,-1)
33.63	2.6653	3.6	(1,2,-3,1)
33.92	2.6425	18.9	(3,1,-4,-1)
33.92	2.6425	37.8	(3,1,-4,0)
36.28	2.4760	12.9	(0,3,-3,-3)
36.28	2.4760	25.8	(0,3,-3,0)
37.85	2.3768	68.8	(1,-3,2,3)

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Energy Properties

Formation Energy/atom

-0.40648

eV/atom

Energy/atom

-46.76046

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-46.7605

eV/atom

Volume/atom

19.30

Å³

c/a Ratio

1.0112

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.1400

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000260

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Hf · 0.643

Element Family

5d-TM

Solute Fraction

0.357

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8800

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.3162

J/mol·K

Ω Parameter

0.5125

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.400%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3105

smaller = more stable mixing

VEC

5.214

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-39.071

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6348

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfkci

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293532

Reference Citation

The crystal structure and related material properties of Hf18FeRe8Pt were obtained from the Materials Project database (MP-ID: mp-3293532, 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_Hf18FeRe8Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.48226854
_cell_length_b   8.57694603
_cell_length_c   8.57694529
_cell_angle_alpha   120.00007333
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf18FeRe8Pt
_chemical_formula_sum   'Hf18 Fe1 Re8 Pt1'
_cell_volume   540.39042473
_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  0.55328568  0.80667373  0.61334903  1.0
  Hf  Hf1  1  0.55329029  0.80667333  0.19332667  1.0
  Hf  Hf2  1  0.55328568  0.38665097  0.19332627  1.0
  Hf  Hf3  1  0.43972211  0.20088520  0.40176861  1.0
  Hf  Hf4  1  0.43971892  0.20088443  0.79911557  1.0
  Hf  Hf5  1  0.43972211  0.59823139  0.79911480  1.0
  Hf  Hf6  1  0.06027789  0.20088520  0.40176861  1.0
  Hf  Hf7  1  0.06028108  0.20088443  0.79911557  1.0
  Hf  Hf8  1  0.06027789  0.59823139  0.79911480  1.0
  Hf  Hf9  1  0.94671432  0.80667373  0.61334903  1.0
  Hf  Hf10  1  0.94670971  0.80667333  0.19332667  1.0
  Hf  Hf11  1  0.94671432  0.38665097  0.19332627  1.0
  Hf  Hf12  1  0.75000000  0.45802467  0.91605421  1.0
  Hf  Hf13  1  0.75000000  0.45802663  0.54197337  1.0
  Hf  Hf14  1  0.75000000  0.08394579  0.54197433  1.0
  Hf  Hf15  1  0.25000000  0.54057245  0.08114093  1.0
  Hf  Hf16  1  0.25000000  0.54057463  0.45942537  1.0
  Hf  Hf17  1  0.25000000  0.91885907  0.45942655  1.0
  Fe  Fe18  1  0.25000000  0.33333249  0.66666751  1.0
  Re  Re19  1  0.75000000  0.11130353  0.22261465  1.0
  Re  Re20  1  0.75000000  0.11130572  0.88869428  1.0
  Re  Re21  1  0.75000000  0.77738535  0.88869647  1.0
  Re  Re22  1  0.25000000  0.89023442  0.78046282  1.0
  Re  Re23  1  0.25000000  0.89023502  0.10976498  1.0
  Re  Re24  1  0.25000000  0.21953718  0.10976558  1.0
  Re  Re25  1  0.50001520  0.00000062  0.99999938  1.0
  Re  Re26  1  0.99998480  0.00000062  0.99999938  1.0
  Pt  Pt27  1  0.75000000  0.66666072  0.33333928  1.0

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