Hf6Al2Pt

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1079155 · Space group: P-62m (#189)

Materials Project API

Basic Information

Formula

Hf6Al2Pt

MP-ID

mp-1079155

Elements

Sites

Density

12.1546

g/cm³

Volume

180.33

Å³

Cell a

7.9034

Cell b

7.9034

Cell c

3.3337

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-62m

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
12.93	6.8446	33.7	(1,0,-1,0)
22.50	3.9517	6.5	(2,-1,-1,0)
22.50	3.9517	3.2	(1,1,-2,0)
26.04	3.4223	13.8	(2,0,-2,0)
26.74	3.3337	1.0	(0,0,0,1)
34.67	2.5870	33.3	(3,-1,-2,0)
34.67	2.5870	16.6	(2,1,-3,0)
35.22	2.5481	100.0	(2,-1,-1,1)
37.67	2.3880	62.1	(2,0,-2,1)
39.50	2.2815	41.6	(3,0,-3,0)
44.32	2.0438	19.5	(3,-1,-2,1)
47.92	1.8983	14.7	(4,-1,-3,0)
48.34	1.8828	1.4	(3,0,-3,1)
53.56	1.7111	2.6	(4,-4,0,0)
53.56	1.7111	5.1	(4,0,-4,0)
53.94	1.6997	7.6	(4,-2,-2,1)
53.94	1.6997	3.8	(2,2,-4,1)
55.10	1.6668	13.3	(0,0,0,2)
55.72	1.6496	4.1	(4,-3,-1,1)
55.72	1.6496	8.3	(4,-1,-3,1)
56.85	1.6195	1.7	(1,0,-1,2)
58.81	1.5703	4.9	(5,-2,-3,0)
58.81	1.5703	2.5	(3,2,-5,0)
60.26	1.5358	1.4	(2,-1,-1,2)

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Energy Properties

Formation Energy/atom

-0.53322

eV/atom

Energy/atom

-37.85104

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-37.8510

eV/atom

Volume/atom

20.04

Å³

c/a Ratio

0.4218

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

Hf · 0.667

Element Family

5d-TM

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8487

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.0560

J/mol·K

Ω Parameter

0.3342

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

5.380%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3106

smaller = more stable mixing

VEC

4.444

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-44.444

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7725

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.632

Family

Hf-rich Multi-Component

Matrix Element

Hf · 0.667

Related Tasks

Related computation task IDs (5)

aaadnczt aaadstfe aaaemeyz aaaeuade aaafcpth

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1079155

Reference Citation

The crystal structure and related material properties of Hf6Al2Pt were obtained from the Materials Project database (MP-ID: mp-1079155, 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_Hf6Al2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.90340092
_cell_length_b   7.90340092
_cell_length_c   3.33365742
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000804
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf6Al2Pt
_chemical_formula_sum   'Hf6 Al2 Pt1'
_cell_volume   180.33482006
_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  -0.00000000  0.73304618  0.50000000  1.0
  Hf  Hf1  1  0.26695382  0.26695382  0.50000000  1.0
  Hf  Hf2  1  0.73304618  -0.00000000  0.50000000  1.0
  Hf  Hf3  1  -0.00000000  0.39888107  -0.00000000  1.0
  Hf  Hf4  1  0.60111893  0.60111893  0.00000000  1.0
  Hf  Hf5  1  0.39888107  -0.00000000  -0.00000000  1.0
  Al  Al6  1  0.33333300  0.66666700  0.50000000  1.0
  Al  Al7  1  0.66666700  0.33333300  0.50000000  1.0
  Pt  Pt8  1  -0.00000000  -0.00000000  -0.00000000  1.0

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