HfPd7Pt

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3201439 · Space group: Fmm2 (#42)

Materials Project API

Basic Information

Formula

HfPd7Pt

MP-ID

mp-3201439

Elements

Sites

Density

13.4066

g/cm³

Volume

138.54

Å³

Cell a

6.2171

Cell b

6.2171

Cell c

6.2722

α Angle

95.73

β Angle

95.73

γ Angle

142.98

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 24)

2θ	d (Å)	I	hkl
14.88	5.9537	1.8	(0,0,1)
15.03	5.8955	6.3	(1,-1,0)
24.94	3.5706	1.8	(1,0,0)
30.32	2.9478	1.0	(2,-2,0)
32.89	2.7231	2.8	(1,0,-2)
39.53	2.2798	100.0	(2,-1,1)
39.53	2.2798	33.3	(1,-2,-1)
45.72	1.9846	21.9	(0,0,3)
45.99	1.9735	21.6	(1,1,-1)
46.19	1.9652	21.3	(3,-3,0)
66.86	1.3994	13.9	(1,1,2)
67.02	1.3964	6.9	(3,-3,3)
67.02	1.3964	6.9	(3,-3,-3)
67.23	1.3925	6.9	(4,-2,-1)
67.23	1.3925	6.9	(2,-4,1)
80.35	1.1951	12.4	(2,-1,4)
80.35	1.1951	4.1	(1,-2,-4)
80.74	1.1902	8.2	(3,0,0)
80.74	1.1902	8.2	(0,3,0)
81.04	1.1866	4.1	(5,-4,1)
81.04	1.1866	8.1	(5,-4,-2)
81.04	1.1866	4.1	(4,-5,-1)
85.11	1.1399	3.6	(4,-2,2)
85.11	1.1399	7.3	(4,-2,-4)

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Energy Properties

Formation Energy/atom

-0.48399

eV/atom

Energy/atom

-29.07980

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-29.0798

eV/atom

Volume/atom

15.39

Å³

c/a Ratio

1.0089

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0001

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

Pd · 0.778

Element Family

4d-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

0.4070

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

4.914%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2871

smaller = more stable mixing

VEC

9.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-26.914

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

Pd-rich Multi-Component

Matrix Element

Pd · 0.778

Related Tasks

Related computation task IDs (1)

aaahadwh

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3201439

Reference Citation

The crystal structure and related material properties of HfPd7Pt were obtained from the Materials Project database (MP-ID: mp-3201439, 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_HfPd7Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21704990
_cell_length_b   6.21704914
_cell_length_c   6.27224227
_cell_angle_alpha   95.73202506
_cell_angle_beta   95.73201899
_cell_angle_gamma   142.98471393
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfPd7Pt
_chemical_formula_sum   'Hf1 Pd7 Pt1'
_cell_volume   138.53877489
_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  0.00115019  0.00115019  0.00230037  1.0
  Pd  Pd1  1  0.33305740  0.66591501  0.99897241  1.0
  Pd  Pd2  1  0.66591501  0.33305740  0.99897241  1.0
  Pd  Pd3  1  0.33447846  0.33447846  0.66895591  1.0
  Pd  Pd4  1  0.66859635  0.99945122  0.66804857  1.0
  Pd  Pd5  1  0.99945122  0.66859635  0.66804857  1.0
  Pd  Pd6  1  0.00041511  0.33225978  0.33267589  1.0
  Pd  Pd7  1  0.33225978  0.00041511  0.33267589  1.0
  Pt  Pt8  1  0.66467649  0.66467649  0.32935198  1.0

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