EuHgPb

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1018698 · Space group: P6_3mc (#186)

Materials Project API

Basic Information

Formula

EuHgPb

MP-ID

mp-1018698

Elements

Sites

Density

10.5869

g/cm³

Volume

175.59

Å³

Cell a

5.0305

Cell b

5.0305

Cell c

8.0123

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
20.39	4.3565	3.0	(1,0,-1,0)
22.19	4.0061	11.8	(0,0,0,2)
23.24	3.8274	19.5	(1,0,-1,1)
30.31	2.9489	100.0	(1,0,-1,2)
35.70	2.5152	99.1	(2,-1,-1,0)
39.58	2.2769	35.8	(1,0,-1,3)
42.43	2.1302	9.3	(2,-1,-1,2)
42.43	2.1302	4.7	(1,1,-2,2)
43.03	2.1020	1.3	(2,-2,0,1)
43.03	2.1020	2.7	(2,0,-2,1)
45.27	2.0031	5.0	(0,0,0,4)
47.51	1.9137	9.8	(2,-2,0,2)
47.51	1.9137	19.5	(2,0,-2,2)
50.12	1.8199	1.5	(1,0,-1,4)
54.35	1.6880	4.8	(2,-2,0,3)
54.35	1.6880	9.7	(2,0,-2,3)
57.11	1.6129	1.2	(3,-2,-1,1)
57.11	1.6129	2.4	(3,-1,-2,1)
58.94	1.5669	13.8	(2,-1,-1,4)
60.82	1.5230	18.8	(3,-1,-2,2)
60.82	1.5230	9.4	(2,1,-3,2)
61.67	1.5039	16.4	(1,0,-1,5)
64.13	1.4522	6.1	(3,-3,0,0)
64.13	1.4522	12.3	(3,0,-3,0)

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Energy Properties

Formation Energy/atom

-0.45115

eV/atom

Energy/atom

-5.22130

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-48.6407

eV/atom

Volume/atom

29.27

Å³

c/a Ratio

1.5927

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

14.0632

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.080090

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Eu · 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

1.5596

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

8.376%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4744

smaller = more stable mixing

VEC

7.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.775

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

Eu-rich Multi-Component

Matrix Element

Eu · 0.333

Related Tasks

Related computation task IDs (5)

aaadmovg aaadsvxt aaaekuyf aaaeutyg aaafssca

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1018698

Reference Citation

The crystal structure and related material properties of EuHgPb were obtained from the Materials Project database (MP-ID: mp-1018698, 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_EuHgPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03048718
_cell_length_b   5.03048718
_cell_length_c   8.01226541
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000948
_symmetry_Int_Tables_number   1
_chemical_formula_structural   EuHgPb
_chemical_formula_sum   'Eu2 Hg2 Pb2'
_cell_volume   175.59251956
_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
  Eu  Eu0  1  -0.00000000  0.00000000  0.74912151  1.0
  Eu  Eu1  1  -0.00000000  0.00000000  0.24912151  1.0
  Hg  Hg2  1  0.66666700  0.33333300  0.55756635  1.0
  Hg  Hg3  1  0.33333300  0.66666700  0.05756635  1.0
  Pb  Pb4  1  0.66666700  0.33333300  0.96331215  1.0
  Pb  Pb5  1  0.33333300  0.66666700  0.46331215  1.0

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