HoLuPb4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3249258 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

HoLuPb4

MP-ID

mp-3249258

Elements

Sites

Density

11.6688

g/cm³

Volume

166.31

Å³

Cell a

8.6321

Cell b

8.6321

Cell c

4.4654

α Angle

90.00

β Angle

90.00

γ Angle

150.01

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
20.58	4.3147	1.2	(1,0,0)
25.58	3.4819	2.4	(2,-1,0)
29.31	3.0474	2.2	(2,-2,1)
32.21	2.7794	22.1	(3,-3,0)
32.61	2.7458	100.0	(2,-1,1)
38.14	2.3596	3.1	(3,-3,1)
40.39	2.2334	14.9	(1,1,0)
40.40	2.2327	14.8	(0,0,2)
43.03	2.1021	1.5	(4,-3,0)
47.83	1.9019	1.1	(4,-3,1)
48.18	1.8889	1.2	(4,-4,1)
50.68	1.8014	1.0	(3,-1,1)
52.57	1.7410	11.4	(4,-2,0)
52.58	1.7406	11.4	(3,-3,2)
53.54	1.7115	2.3	(5,-4,0)
56.75	1.6221	2.0	(4,-2,1)
57.68	1.5982	13.2	(5,-4,1)
58.45	1.5790	10.2	(1,1,2)
60.49	1.5305	1.1	(4,-3,2)
64.96	1.4356	1.0	(6,-5,0)
67.39	1.3897	1.4	(6,-6,0)
68.32	1.3729	10.5	(4,-2,2)
68.55	1.3690	12.2	(3,0,1)
68.56	1.3687	12.2	(2,-1,3)

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Energy Properties

Formation Energy/atom

-0.41682

eV/atom

Energy/atom

-49.76711

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-49.7671

eV/atom

Volume/atom

27.72

Å³

c/a Ratio

0.5173

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

0.5092

smaller = more stable mixing

VEC

4.833

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)

aaahcwpm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3249258

Reference Citation

The crystal structure and related material properties of HoLuPb4 were obtained from the Materials Project database (MP-ID: mp-3249258, 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_HoLuPb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.63210514
_cell_length_b   8.63210518
_cell_length_c   4.46538357
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   150.01029969
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoLuPb4
_chemical_formula_sum   'Ho1 Lu1 Pb4'
_cell_volume   166.31329563
_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
  Ho  Ho0  1  0.90454817  0.09545283  0.25000000  1.0
  Lu  Lu1  1  0.09563556  0.90436544  0.75000000  1.0
  Pb  Pb2  1  0.56775614  0.43224486  0.25000000  1.0
  Pb  Pb3  1  0.25167138  0.74832962  0.25000000  1.0
  Pb  Pb4  1  0.74645653  0.25354447  0.75000000  1.0
  Pb  Pb5  1  0.43393521  0.56606579  0.75000000  1.0

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