Dy2Pd2Pb

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-31088 · Space group: P4/mbm (#127)

Materials Project API

Basic Information

Formula

Dy2Pd2Pb

MP-ID

mp-31088

Elements

Sites

Density

11.1190

g/cm³

Volume

222.53

Å³

Cell a

7.8206

Cell b

7.8206

Cell c

3.6384

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4/mbm

Point Group

4/mmm

Crystal System

Tetragonal

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
24.47	3.6384	4.0	(0,0,1)
25.47	3.4975	4.4	(2,1,0)
25.47	3.4975	4.4	(2,-1,0)
29.38	3.0395	26.6	(1,1,1)
32.38	2.7650	17.4	(2,2,0)
32.38	2.7650	17.4	(2,-2,0)
33.65	2.6637	100.0	(2,0,1)
35.61	2.5215	87.9	(2,1,1)
35.61	2.5215	87.9	(2,-1,1)
36.33	2.4731	59.5	(3,1,0)
36.33	2.4731	59.5	(3,-1,0)
41.00	2.2015	2.3	(2,2,1)
41.00	2.2015	2.3	(2,-2,1)
41.64	2.1690	6.1	(3,2,0)
41.64	2.1690	6.1	(3,-2,0)
44.29	2.0453	8.6	(3,1,1)
44.29	2.0453	8.5	(3,-1,1)
46.45	1.9551	2.4	(4,0,0)
47.96	1.8968	8.7	(4,1,0)
47.96	1.8968	8.7	(4,-1,0)
48.89	1.8631	3.8	(3,2,1)
48.89	1.8631	3.8	(3,-2,1)
49.44	1.8433	2.7	(3,3,0)
49.44	1.8433	2.7	(3,-3,0)

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Energy Properties

Formation Energy/atom

-0.83768

eV/atom

Energy/atom

-5.49951

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-34.1542

eV/atom

Volume/atom

22.25

Å³

c/a Ratio

0.4652

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

Dy · 0.400

Element Family

Lanthanide

Solute Fraction

0.600

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0549

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.7706

J/mol·K

Ω Parameter

9.7067

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.650%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5036

smaller = more stable mixing

VEC

8.800

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.376

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9602

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.468

Family

Dy-rich Multi-Component

Matrix Element

Dy · 0.400

Related Tasks

Related computation task IDs (5)

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Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-31088

Reference Citation

The crystal structure and related material properties of Dy2Pd2Pb were obtained from the Materials Project database (MP-ID: mp-31088, 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_Dy2Pd2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.82057613
_cell_length_b   7.82057613
_cell_length_c   3.63843675
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.99997055
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy2Pd2Pb
_chemical_formula_sum   'Dy4 Pd4 Pb2'
_cell_volume   222.53192548
_cell_formula_units_Z   2
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  0.67193377  0.17193377  0.50000000  1.0
  Dy  Dy1  1  0.17190366  0.32809634  0.50000000  1.0
  Dy  Dy2  1  0.82809634  0.67190366  0.50000000  1.0
  Dy  Dy3  1  0.32806623  0.82806623  0.50000000  1.0
  Pd  Pd4  1  0.37514575  0.12485425  0.00000000  1.0
  Pd  Pd5  1  0.12483280  0.62483280  -0.00000000  1.0
  Pd  Pd6  1  0.62485425  0.87514575  0.00000000  1.0
  Pd  Pd7  1  0.87516720  0.37516720  -0.00000000  1.0
  Pb  Pb8  1  0.00000000  -0.00000000  0.00000000  1.0
  Pb  Pb9  1  0.50000000  0.50000000  0.00000000  1.0

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