FePd3Pt2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3201791 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

FePd3Pt2

MP-ID

mp-3201791

Elements

Sites

Density

14.3633

g/cm³

Volume

88.47

Å³

Cell a

6.1155

Cell b

6.1155

Cell c

3.9306

α Angle

90.00

β Angle

90.00

γ Angle

143.00

Space Group

Amm2

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
15.28	5.7995	5.1	(1,-1,0)
24.18	3.6806	11.6	(1,0,0)
24.18	3.6806	11.6	(0,1,0)
27.41	3.2537	14.3	(1,-1,1)
30.84	2.8997	1.2	(2,-2,0)
33.35	2.6866	3.0	(1,0,1)
38.58	2.3334	8.5	(2,-2,1)
40.13	2.2473	100.0	(2,-1,1)
40.13	2.2473	100.0	(1,-2,1)
45.56	1.9912	3.2	(3,-2,0)
46.19	1.9653	33.6	(0,0,2)
46.81	1.9406	32.3	(1,1,0)
47.01	1.9332	31.2	(3,-3,0)
51.44	1.7763	1.7	(3,-2,1)
52.81	1.7336	6.2	(1,0,2)
55.10	1.6667	4.6	(2,0,1)
60.78	1.5239	2.8	(4,-3,0)
62.22	1.4921	2.3	(3,-1,1)
62.22	1.4921	2.3	(1,-3,1)
66.89	1.3988	2.2	(3,-2,2)
67.88	1.3809	21.0	(1,1,2)
68.03	1.3782	20.4	(3,-3,2)
68.51	1.3696	10.0	(4,-2,0)
68.51	1.3696	10.0	(2,-4,0)

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Energy Properties

Formation Energy/atom

-0.18741

eV/atom

Energy/atom

-31.23244

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-31.2324

eV/atom

Volume/atom

14.75

Å³

c/a Ratio

0.6427

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

5.4253

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.061320

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pd · 0.500

Element Family

4d-TM

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0114

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.4088

J/mol·K

Ω Parameter

1.1039

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

3.304%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1540

smaller = more stable mixing

VEC

9.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-14.444

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9206

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.491

Family

Pd-rich Multi-Component

Matrix Element

Pd · 0.500

Related Tasks

Related computation task IDs (1)

aaahaejv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3201791

Reference Citation

The crystal structure and related material properties of FePd3Pt2 were obtained from the Materials Project database (MP-ID: mp-3201791, 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_FePd3Pt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11552523
_cell_length_b   6.11552503
_cell_length_c   3.93056622
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   142.99739946
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FePd3Pt2
_chemical_formula_sum   'Fe1 Pd3 Pt2'
_cell_volume   88.47321503
_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  0.99815952  0.00184048  0.00000000  1.0
  Pd  Pd1  1  0.66114871  0.33885329  0.00000000  1.0
  Pd  Pd2  1  0.83552335  0.16447865  0.50000100  1.0
  Pd  Pd3  1  0.16461301  0.83538899  0.50000100  1.0
  Pt  Pt4  1  0.33980461  0.66019739  0.00000000  1.0
  Pt  Pt5  1  0.50075580  0.49924620  0.50000100  1.0

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