DyHoPb4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3252037 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

DyHoPb4

MP-ID

mp-3252037

Elements

Sites

Density

11.3523

g/cm³

Volume

169.13

Å³

Cell a

8.7033

Cell b

8.7033

Cell c

4.4805

α Angle

90.00

β Angle

90.00

γ Angle

150.11

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
20.48	4.3371	1.5	(1,0,0)
25.42	3.5040	1.4	(1,-2,0)
25.42	3.5040	1.4	(2,-1,0)
29.13	3.0659	2.4	(2,-2,1)
31.93	2.8030	22.0	(3,-3,0)
32.44	2.7602	100.0	(2,-1,1)
37.86	2.3763	3.7	(3,-3,1)
40.18	2.2445	14.9	(1,1,0)
40.26	2.2403	14.8	(0,0,2)
47.79	1.9032	1.1	(4,-4,1)
48.21	1.8875	1.0	(2,-1,2)
52.21	1.7520	5.7	(2,-4,0)
52.21	1.7520	5.7	(4,-2,0)
52.28	1.7500	11.3	(3,-3,2)
53.09	1.7251	1.3	(4,-5,0)
53.09	1.7251	1.3	(5,-4,0)
56.39	1.6317	1.2	(2,-4,1)
56.39	1.6317	1.2	(4,-2,1)
57.22	1.6099	6.4	(4,-5,1)
57.22	1.6099	6.4	(5,-4,1)
58.18	1.5856	10.3	(1,1,2)
60.12	1.5391	1.2	(4,-3,2)
66.74	1.4015	1.3	(6,-6,0)
67.92	1.3801	5.2	(2,-4,2)

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Energy Properties

Formation Energy/atom

-0.48042

eV/atom

Energy/atom

-48.81437

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-48.8144

eV/atom

Volume/atom

28.19

Å³

c/a Ratio

0.5148

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

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

Pb · 0.667

Element Family

PostTransition-Noble

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8676

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.2129

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

0.000%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5209

smaller = more stable mixing

VEC

6.167

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7897

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.711

Family

Pb-rich Multi-Component

Matrix Element

Pb · 0.667

Related Tasks

Related computation task IDs (1)

aaahdasj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3252037

Reference Citation

The crystal structure and related material properties of DyHoPb4 were obtained from the Materials Project database (MP-ID: mp-3252037, 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_DyHoPb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.70325409
_cell_length_b   8.70325503
_cell_length_c   4.48050449
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   150.11027852
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyHoPb4
_chemical_formula_sum   'Dy1 Ho1 Pb4'
_cell_volume   169.12556224
_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  0.90379732  0.09620168  0.75000100  1.0
  Ho  Ho1  1  0.09624791  0.90375109  0.25000000  1.0
  Pb  Pb2  1  0.74793835  0.25206065  0.25000000  1.0
  Pb  Pb3  1  0.43400308  0.56599592  0.25000000  1.0
  Pb  Pb4  1  0.56646933  0.43352967  0.75000100  1.0
  Pb  Pb5  1  0.25154001  0.74845899  0.75000100  1.0

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