TbHoPb4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3253314 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

TbHoPb4

MP-ID

mp-3253314

Elements

Sites

Density

11.2946

g/cm³

Volume

169.46

Å³

Cell a

8.7133

Cell b

8.7133

Cell c

4.4832

α Angle

90.00

β Angle

90.00

γ Angle

150.14

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

Bravais Lattice

Stability

Yes

Packing Fraction

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
20.47	4.3382	1.6	(1,0,0)
25.40	3.5060	2.9	(2,-1,0)
29.10	3.0688	2.5	(2,-2,1)
31.89	2.8064	21.9	(3,-3,0)
32.42	2.7618	100.0	(2,-1,1)
37.82	2.3788	3.8	(3,-3,1)
40.17	2.2449	14.9	(1,1,0)
40.23	2.2416	14.9	(0,0,2)
47.74	1.9053	1.1	(4,-4,1)
48.18	1.8886	1.1	(2,-1,2)
52.18	1.7530	5.6	(4,-2,0)
52.18	1.7530	5.6	(2,-4,0)
52.23	1.7515	11.2	(3,-3,2)
53.03	1.7270	1.4	(5,-4,0)
53.03	1.7270	1.4	(4,-5,0)
56.35	1.6327	1.2	(4,-2,1)
56.35	1.6327	1.2	(2,-4,1)
57.16	1.6115	6.3	(5,-4,1)
57.16	1.6115	6.3	(4,-5,1)
58.16	1.5862	10.3	(1,1,2)
66.65	1.4032	1.3	(6,-6,0)
67.87	1.3809	5.2	(4,-2,2)
67.87	1.3809	5.2	(2,-4,2)
68.13	1.3762	12.2	(3,0,1)

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Energy Properties

Formation Energy/atom

-0.49192

eV/atom

Energy/atom

-48.69997

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-48.7000

eV/atom

Volume/atom

28.24

Å³

c/a Ratio

0.5145

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

Pb · 0.667

Element Family

PostTransition-Noble

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8676

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.2129

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

0.000%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5505

smaller = more stable mixing

VEC

6.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7897

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.711

Family

Pb-rich Multi-Component

Matrix Element

Pb · 0.667

Related Tasks

Related computation task IDs (1)

aaahdcpm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3253314

Reference Citation

The crystal structure and related material properties of TbHoPb4 were obtained from the Materials Project database (MP-ID: mp-3253314, 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

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Raw CIF Data

# generated using pymatgen
data_TbHoPb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.71325715
_cell_length_b   8.71325630
_cell_length_c   4.48321385
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   150.13994579
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbHoPb4
_chemical_formula_sum   'Tb1 Ho1 Pb4'
_cell_volume   169.46420353
_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
  Tb  Tb0  1  0.90337007  0.09662993  0.75000000  1.0
  Ho  Ho1  1  0.09658660  0.90341340  0.25000000  1.0
  Pb  Pb2  1  0.56666517  0.43333483  0.75000000  1.0
  Pb  Pb3  1  0.43456409  0.56543591  0.25000000  1.0
  Pb  Pb4  1  0.25112303  0.74887697  0.75000000  1.0
  Pb  Pb5  1  0.74769204  0.25230796  0.25000000  1.0

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