HfPdPt7

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3200955 · Space group: Fmm2 (#42)

Materials Project API

Basic Information

Formula

HfPdPt7

MP-ID

mp-3200955

Elements

Sites

Density

19.5258

g/cm³

Volume

140.36

Å³

Cell a

6.2437

Cell b

6.2437

Cell c

6.3142

α Angle

95.68

β Angle

95.68

γ Angle

143.10

Space Group

Fmm2

Point Group

mm2

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 19)

2θ	d (Å)	I	hkl
39.35	2.2897	100.0	(2,-1,-2)
45.37	1.9990	16.7	(0,0,3)
45.93	1.9759	16.2	(1,1,-1)
45.97	1.9743	16.2	(3,-3,0)
66.54	1.4053	5.4	(1,1,-4)
66.54	1.4053	5.4	(1,1,2)
66.57	1.4047	5.4	(3,-3,3)
66.57	1.4047	5.4	(3,-3,-3)
67.01	1.3966	5.3	(2,-4,1)
67.01	1.3966	5.3	(4,-2,-1)
79.72	1.2028	3.3	(1,-2,5)
79.72	1.2028	6.5	(2,-1,-5)
79.72	1.2028	3.3	(1,-2,-4)
80.54	1.1927	9.6	(3,0,-3)
80.54	1.1927	3.2	(0,3,0)
80.60	1.1920	3.2	(4,-5,2)
80.60	1.1920	9.6	(5,-4,1)
84.66	1.1449	5.7	(4,-2,-4)
84.66	1.1449	5.7	(4,-2,2)

Get direct link

Energy Properties

Formation Energy/atom

-0.57892

eV/atom

Energy/atom

-48.19291

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-48.1929

eV/atom

Volume/atom

15.60

Å³

c/a Ratio

1.0113

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

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

Pt · 0.778

Element Family

5d-TM

Solute Fraction

0.222

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.6837

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

5.6846

J/mol·K

Ω Parameter

0.4142

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

4.535%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3059

smaller = more stable mixing

VEC

9.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-28.395

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6224

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.671

Family

Pt-rich Multi-Component

Matrix Element

Pt · 0.778

Related Tasks

Related computation task IDs (1)

aaahaddr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3200955

Reference Citation

The crystal structure and related material properties of HfPdPt7 were obtained from the Materials Project database (MP-ID: mp-3200955, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_HfPdPt7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24367641
_cell_length_b   6.24367643
_cell_length_c   6.31416992
_cell_angle_alpha   95.68333835
_cell_angle_beta   95.68333040
_cell_angle_gamma   143.10177788
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfPdPt7
_chemical_formula_sum   'Hf1 Pd1 Pt7'
_cell_volume   140.36401652
_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  0.99964235  0.00035765  0.00000000  1.0
  Pd  Pd1  1  0.66547160  0.33452640  0.00000000  1.0
  Pt  Pt2  1  0.33471593  0.66528207  1.00000000  1.0
  Pt  Pt3  1  0.66443732  0.66343517  0.32787449  1.0
  Pt  Pt4  1  0.33106032  0.00030203  0.33136235  1.0
  Pt  Pt5  1  0.00006886  0.33166116  0.33172902  1.0
  Pt  Pt6  1  0.66833884  0.99993114  0.66827098  1.0
  Pt  Pt7  1  0.99969797  0.66893968  0.66863765  1.0
  Pt  Pt8  1  0.33656383  0.33556168  0.67212651  1.0

Get direct link