TbAgPb

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-31447 · Space group: P6_3mc (#186)

Materials Project API

Basic Information

Formula

TbAgPb

MP-ID

mp-31447

Elements

Sites

Density

10.5830

g/cm³

Volume

148.75

Å³

Cell a

4.7777

Cell b

4.7777

Cell c

7.5245

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
23.65	3.7623	5.5	(0,0,0,2)
24.55	3.6256	33.1	(1,0,-1,1)
32.16	2.7836	75.6	(1,0,-1,2)
32.16	2.7836	37.8	(1,-1,0,2)
37.65	2.3888	100.0	(2,-1,-1,0)
42.13	2.1449	32.9	(1,0,-1,3)
44.95	2.0167	2.1	(1,1,-2,2)
44.95	2.0167	4.1	(2,-1,-1,2)
45.47	1.9948	4.6	(2,0,-2,1)
45.47	1.9948	2.3	(2,-2,0,1)
48.39	1.8811	6.2	(0,0,0,4)
50.33	1.8128	21.6	(2,0,-2,2)
50.33	1.8128	10.8	(2,-2,0,2)
53.51	1.7125	2.7	(1,0,-1,4)
57.77	1.5960	13.0	(2,0,-2,3)
60.46	1.5311	4.1	(3,-1,-2,1)
60.46	1.5311	2.0	(3,-2,-1,1)
62.88	1.4779	17.3	(2,-1,-1,4)
64.53	1.4441	30.8	(3,-1,-2,2)
66.06	1.4143	12.9	(1,0,-1,5)
67.27	1.3918	1.4	(2,0,-2,4)
67.97	1.3792	11.8	(3,0,-3,0)
67.97	1.3792	5.9	(3,-3,0,0)
71.03	1.3270	14.1	(3,-1,-2,3)

Get direct link

Energy Properties

Formation Energy/atom

-0.41266

eV/atom

Energy/atom

-4.14381

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-36.8214

eV/atom

Volume/atom

24.79

Å³

c/a Ratio

1.5749

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

Tb · 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

11.8669

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

8.875%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5123

smaller = more stable mixing

VEC

8.000

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

Tb-rich Multi-Component

Matrix Element

Tb · 0.333

Related Tasks

Related computation task IDs (4)

aaadmigu aaadsnxr aaaemluu aaafjgng

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-31447

Reference Citation

The crystal structure and related material properties of TbAgPb were obtained from the Materials Project database (MP-ID: mp-31447, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_TbAgPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77768248
_cell_length_b   4.77768248
_cell_length_c   7.52453254
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999302
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbAgPb
_chemical_formula_sum   'Tb2 Ag2 Pb2'
_cell_volume   148.74581424
_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
  Tb  Tb0  1  -0.00000000  -0.00000000  0.00311738  1.0
  Tb  Tb1  1  0.00000000  -0.00000000  0.50311738  1.0
  Ag  Ag2  1  0.66666700  0.33333300  0.32018225  1.0
  Ag  Ag3  1  0.33333300  0.66666700  0.82018225  1.0
  Pb  Pb4  1  0.33333300  0.66666700  0.22190037  1.0
  Pb  Pb5  1  0.66666700  0.33333300  0.72190037  1.0

Get direct link