HoAgPb

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-31449 · Space group: P6_3mc (#186)

Materials Project API

Basic Information

Formula

HoAgPb

MP-ID

mp-31449

Elements

Sites

Density

10.8669

g/cm³

Volume

146.69

Å³

Cell a

4.7588

Cell b

4.7588

Cell c

7.4797

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3mc

Point Group

6mm

Crystal System

Hexagonal

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
23.79	3.7398	4.0	(0,0,0,2)
24.66	3.6096	9.8	(0,1,-1,1)
24.66	3.6096	19.6	(1,0,-1,1)
32.32	2.7695	100.0	(1,0,-1,2)
37.81	2.3794	88.1	(2,-1,-1,0)
42.37	2.1332	29.2	(1,0,-1,3)
45.17	2.0075	3.0	(1,1,-2,2)
45.17	2.0075	1.5	(2,-1,-1,2)
45.67	1.9866	2.0	(0,2,-2,1)
45.67	1.9866	4.1	(2,0,-2,1)
48.70	1.8699	5.3	(0,0,0,4)
50.57	1.8048	9.6	(0,2,-2,2)
50.57	1.8048	19.1	(2,0,-2,2)
53.84	1.7028	2.8	(1,0,-1,4)
58.07	1.5884	3.8	(0,2,-2,3)
58.07	1.5884	7.7	(2,0,-2,3)
60.73	1.5250	1.8	(1,2,-3,1)
60.73	1.5250	1.8	(2,1,-3,1)
60.73	1.5250	1.8	(3,-1,-2,1)
63.25	1.4702	14.7	(2,-1,-1,4)
64.84	1.4380	9.1	(1,2,-3,2)
64.84	1.4380	9.1	(2,1,-3,2)
64.84	1.4380	9.1	(3,-1,-2,2)
66.49	1.4062	11.0	(1,0,-1,5)

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Energy Properties

Formation Energy/atom

-0.38020

eV/atom

Energy/atom

-4.09796

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-37.3355

eV/atom

Volume/atom

24.45

Å³

c/a Ratio

1.5718

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

12.2266

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

8.875%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4546

smaller = more stable mixing

VEC

8.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.889

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)

aaadmjdw aaadspnc aaaemibv aaaeusaf aaafbwhi

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-31449

Reference Citation

The crystal structure and related material properties of HoAgPb were obtained from the Materials Project database (MP-ID: mp-31449, 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_HoAgPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75882344
_cell_length_b   4.75882453
_cell_length_c   7.47967852
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999242
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoAgPb
_chemical_formula_sum   'Ho2 Ag2 Pb2'
_cell_volume   146.69417891
_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
  Ho  Ho0  1  -0.00000000  0.00000000  0.01365260  1.0
  Ho  Ho1  1  -0.00000000  -0.00000000  0.51365260  1.0
  Ag  Ag2  1  0.66666700  0.33333300  0.33364296  1.0
  Ag  Ag3  1  0.33333300  0.66666700  0.83364296  1.0
  Pb  Pb4  1  0.33333300  0.66666700  0.23260544  1.0
  Pb  Pb5  1  0.66666700  0.33333300  0.73260544  1.0

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