DyInPd2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-30606 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

DyInPd2

MP-ID

mp-30606

Elements

Sites

Density

10.6046

g/cm³

Volume

76.75

Å³

Cell a

4.7702

Cell b

4.7702

Cell c

4.7702

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

Fm-3m

Point Group

m-3m

Crystal System

Cubic

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 12)

2θ	d (Å)	I	hkl
22.83	3.8948	1.6	(1,0,0)
26.42	3.3730	2.2	(1,1,0)
37.72	2.3851	100.0	(2,1,1)
37.72	2.3851	20.0	(0,1,-1)
54.40	1.6865	20.5	(2,2,0)
68.09	1.3770	17.2	(3,1,0)
68.09	1.3770	13.8	(2,3,3)
68.09	1.3770	10.3	(1,3,0)
80.55	1.1926	2.2	(4,2,2)
80.55	1.1925	2.2	(2,0,-2)
80.55	1.1925	4.3	(2,4,2)
80.55	1.1925	4.3	(2,-2,0)

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Energy Properties

Formation Energy/atom

-0.88242

eV/atom

Energy/atom

-26.00275

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-26.0028

eV/atom

Volume/atom

19.19

Å³

c/a Ratio

1.0000

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

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

1.0397

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6442

J/mol·K

Ω Parameter

1.9471

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.191%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4021

smaller = more stable mixing

VEC

8.250

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-6.399

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.469

Family

Pd-rich Multi-Component

Matrix Element

Pd · 0.500

Related Tasks

Related computation task IDs (5)

aaadmwpw aaadstey aaaehisf aaaeulrr aaafsrir

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30606

Reference Citation

The crystal structure and related material properties of DyInPd2 were obtained from the Materials Project database (MP-ID: mp-30606, 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_DyInPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77018022
_cell_length_b   4.77017923
_cell_length_c   4.77017951
_cell_angle_alpha   59.99999088
_cell_angle_beta   59.99999767
_cell_angle_gamma   59.99999162
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyInPd2
_chemical_formula_sum   'Dy1 In1 Pd2'
_cell_volume   76.75190157
_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
  Dy  Dy0  1  0.50000000  0.50000000  0.50000000  1.0
  In  In1  1  0.00000000  0.00000000  -0.00000000  1.0
  Pd  Pd2  1  0.75000000  0.75000000  0.75000000  1.0
  Pd  Pd3  1  0.25000000  0.25000000  0.25000000  1.0

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