HoPbAu

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-30389 · Space group: F-43m (#216)

Materials Project API

Basic Information

Formula

HoPbAu

MP-ID

mp-30389

Elements

Sites

Density

12.2163

g/cm³

Volume

77.36

Å³

Cell a

4.7827

Cell b

4.7827

Cell c

4.7827

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

F-43m

Point Group

-43m

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 24)

2θ	d (Å)	I	hkl
22.77	3.9050	33.9	(1,0,0)
22.77	3.9050	11.3	(0,0,1)
26.35	3.3819	16.9	(1,1,0)
37.61	2.3913	100.0	(2,1,1)
37.61	2.3913	50.0	(1,1,2)
44.42	2.0393	12.2	(2,0,1)
44.42	2.0393	12.2	(1,1,-1)
46.51	1.9525	2.5	(0,2,0)
46.51	1.9525	1.2	(2,0,0)
46.51	1.9525	1.2	(0,0,2)
54.25	1.6909	26.4	(2,2,0)
59.58	1.5517	4.3	(1,3,1)
59.58	1.5517	2.6	(3,2,2)
59.58	1.5517	3.4	(2,0,-1)
61.29	1.5124	2.7	(3,2,1)
61.29	1.5124	2.7	(1,2,-1)
67.89	1.3806	13.6	(1,3,0)
67.89	1.3806	22.7	(3,3,2)
67.89	1.3806	4.5	(3,1,0)
67.89	1.3806	13.6	(1,0,3)
72.63	1.3017	4.4	(2,-1,2)
72.63	1.3017	2.0	(3,2,0)
80.30	1.1957	5.8	(2,4,2)
80.30	1.1957	5.8	(4,2,2)

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Energy Properties

Formation Energy/atom

-0.66303

eV/atom

Energy/atom

-4.52443

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-47.3995

eV/atom

Volume/atom

25.79

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

Ho · 0.333

Element Family

Lanthanide

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0986

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.1339

J/mol·K

Ω Parameter

4.4264

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

8.875%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5745

smaller = more stable mixing

VEC

8.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.525

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.430

Family

Ho-rich Multi-Component

Matrix Element

Ho · 0.333

Related Tasks

Related computation task IDs (5)

aaadmvwe aaadrlnl aaaeilch aaaeuotm aaafxhzt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30389

Reference Citation

The crystal structure and related material properties of HoPbAu were obtained from the Materials Project database (MP-ID: mp-30389, 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_HoPbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78266844
_cell_length_b   4.78266921
_cell_length_c   4.78266775
_cell_angle_alpha   59.99999593
_cell_angle_beta   59.99999061
_cell_angle_gamma   60.00000320
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoPbAu
_chemical_formula_sum   'Ho1 Pb1 Au1'
_cell_volume   77.35631959
_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  0.50000000  0.50000000  0.50000000  1.0
  Pb  Pb1  1  0.00000000  0.00000000  -0.00000000  1.0
  Au  Au2  1  0.25000000  0.25000000  0.25000000  1.0

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