HoCuPb

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1072011 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

HoCuPb

MP-ID

mp-1072011

Elements

Sites

Density

10.6304

g/cm³

Volume

136.11

Å³

Cell a

4.5873

Cell b

4.5873

Cell c

7.4687

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

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
22.38	3.9728	1.0	(1,0,-1,0)
23.83	3.7343	5.1	(0,0,0,2)
25.39	3.5074	28.6	(1,0,-1,1)
32.92	2.7210	100.0	(1,0,-1,2)
39.28	2.2937	66.0	(2,-1,-1,0)
42.87	2.1096	5.1	(1,0,-1,3)
42.87	2.1096	2.6	(1,-1,0,3)
46.46	1.9545	1.8	(1,1,-2,2)
46.46	1.9545	3.6	(2,-1,-1,2)
47.36	1.9196	3.9	(2,0,-2,1)
47.36	1.9196	1.9	(2,-2,0,1)
48.77	1.8672	11.9	(0,0,0,4)
52.16	1.7537	27.4	(2,0,-2,2)
59.54	1.5527	3.1	(2,0,-2,3)
63.16	1.4721	1.8	(2,1,-3,1)
63.16	1.4721	3.5	(3,-1,-2,1)
64.33	1.4480	31.0	(2,-1,-1,4)
66.92	1.3982	2.3	(1,0,-1,5)
67.20	1.3932	8.5	(2,1,-3,2)
67.20	1.3932	17.1	(3,-1,-2,2)
71.20	1.3243	11.5	(3,0,-3,0)
73.68	1.2858	1.2	(2,1,-3,3)
73.68	1.2858	2.3	(3,-1,-2,3)
76.29	1.2481	1.2	(3,0,-3,2)

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Energy Properties

Formation Energy/atom

-0.31600

eV/atom

Energy/atom

-4.45251

eV/atom

Energy above Hull

0.0594

eV/atom

Uncorrected Energy

-4.4525

eV/atom

Volume/atom

22.69

Å³

c/a Ratio

1.6281

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

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

4.2160

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.905%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4526

smaller = more stable mixing

VEC

8.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

2.667

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.390

Family

Ho-rich Multi-Component

Matrix Element

Ho · 0.333

Related Tasks

Related computation task IDs (5)

aaacizyk aaadsshk aaaeuhtq aaafajlp aaafdemu

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1072011

Reference Citation

The crystal structure and related material properties of HoCuPb were obtained from the Materials Project database (MP-ID: mp-1072011, 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_HoCuPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58734362
_cell_length_b   4.58734362
_cell_length_c   7.46865200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999451
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoCuPb
_chemical_formula_sum   'Ho2 Cu2 Pb2'
_cell_volume   136.11168956
_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  0.50000000  1.0
  Ho  Ho1  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu2  1  0.33333300  0.66666700  0.75000000  1.0
  Cu  Cu3  1  0.66666700  0.33333300  0.25000000  1.0
  Pb  Pb4  1  0.33333300  0.66666700  0.25000000  1.0
  Pb  Pb5  1  0.66666700  0.33333300  0.75000000  1.0

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