FePd7Pt

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3201886 · Space group: Fmm2 (#42)

Materials Project API

Basic Information

Formula

FePd7Pt

MP-ID

mp-3201886

Elements

Sites

Density

12.4317

g/cm³

Volume

133.02

Å³

Cell a

6.1741

Cell b

6.1741

Cell c

6.1600

α Angle

95.69

β Angle

95.69

γ Angle

143.35

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
15.15	5.8462	3.5	(0,0,1)
21.47	4.1391	3.8	(1,-1,1)
25.34	3.5149	6.1	(1,0,0)
30.58	2.9231	1.5	(0,0,2)
33.43	2.6806	2.5	(1,-2,0)
34.23	2.6198	1.4	(2,-2,1)
34.28	2.6158	1.5	(1,-1,2)
40.09	2.2491	33.3	(2,-1,1)
40.09	2.2491	100.0	(1,-2,-1)
45.88	1.9779	1.2	(3,-2,0)
46.48	1.9537	21.7	(3,-3,0)
46.61	1.9487	21.4	(0,0,3)
46.80	1.9411	21.4	(1,1,-1)
67.94	1.3797	6.7	(3,-3,3)
67.94	1.3797	6.7	(3,-3,-3)
68.09	1.3770	13.5	(4,-2,-1)
68.19	1.3753	6.7	(1,1,2)
68.19	1.3753	6.7	(1,1,-4)
81.83	1.1771	4.0	(5,-4,1)
81.83	1.1771	8.0	(4,-5,-1)
81.83	1.1771	4.0	(5,-4,-2)
82.01	1.1750	4.0	(2,-1,4)
82.01	1.1750	4.0	(1,-2,-4)
82.01	1.1750	4.0	(1,-2,5)

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Energy Properties

Formation Energy/atom

-0.12010

eV/atom

Energy/atom

-25.30057

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-25.3006

eV/atom

Volume/atom

14.78

Å³

c/a Ratio

0.9977

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

6.1443

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.046190

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

1.4685

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

2.640%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1220

smaller = more stable mixing

VEC

9.778

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-7.160

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6224

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.631

Family

Pd-rich Multi-Component

Matrix Element

Pd · 0.778

Related Tasks

Related computation task IDs (1)

aaahaenm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3201886

Reference Citation

The crystal structure and related material properties of FePd7Pt were obtained from the Materials Project database (MP-ID: mp-3201886, 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_FePd7Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17409904
_cell_length_b   6.17409887
_cell_length_c   6.16004292
_cell_angle_alpha   95.68542734
_cell_angle_beta   95.68541851
_cell_angle_gamma   143.35200087
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FePd7Pt
_chemical_formula_sum   'Fe1 Pd7 Pt1'
_cell_volume   133.02165479
_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
  Fe  Fe0  1  0.00266894  0.00266894  0.00533988  1.0
  Pd  Pd1  1  0.33584745  0.66297170  0.99881915  1.0
  Pd  Pd2  1  0.66297170  0.33584745  0.99881915  1.0
  Pd  Pd3  1  0.33692625  0.33692625  0.67385151  1.0
  Pd  Pd4  1  0.67071515  0.99927865  0.66999280  1.0
  Pd  Pd5  1  0.99927865  0.67071515  0.66999280  1.0
  Pd  Pd6  1  0.00034569  0.32961305  0.32995974  1.0
  Pd  Pd7  1  0.32961305  0.00034569  0.32995974  1.0
  Pt  Pt8  1  0.66163312  0.66163312  0.32326523  1.0

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