HoTmPb4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3251444 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

HoTmPb4

MP-ID

mp-3251444

Elements

Sites

Density

11.5475

g/cm³

Volume

167.19

Å³

Cell a

8.6547

Cell b

8.6547

Cell c

4.4699

α Angle

90.00

β Angle

90.00

γ Angle

150.04

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
25.53	3.4890	1.3	(1,-2,0)
25.53	3.4890	1.3	(2,-1,0)
29.25	3.0532	2.2	(2,-2,1)
32.12	2.7869	22.1	(3,-3,0)
32.56	2.7503	100.0	(2,-1,1)
38.05	2.3649	3.4	(3,-3,1)
40.32	2.2369	14.9	(1,1,0)
40.36	2.2349	14.8	(0,0,2)
42.92	2.1072	1.5	(4,-3,0)
47.72	1.9060	1.2	(4,-3,1)
48.05	1.8934	1.1	(4,-4,1)
52.45	1.7445	11.4	(4,-2,0)
52.48	1.7435	11.3	(3,-3,2)
53.40	1.7158	1.2	(4,-5,0)
53.40	1.7158	1.2	(5,-4,0)
56.64	1.6251	1.1	(2,-4,1)
56.64	1.6251	1.1	(4,-2,1)
57.54	1.6019	13.1	(5,-4,1)
58.37	1.5810	10.2	(1,1,2)
60.37	1.5332	1.1	(4,-3,2)
67.18	1.3934	1.4	(6,-6,0)
68.20	1.3752	10.5	(4,-2,2)
68.42	1.3712	12.2	(3,0,1)
68.47	1.3702	12.2	(2,-1,3)

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Energy Properties

Formation Energy/atom

-0.44411

eV/atom

Energy/atom

-49.30126

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-49.3013

eV/atom

Volume/atom

27.87

Å³

c/a Ratio

0.5165

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

0.5139

smaller = more stable mixing

VEC

6.667

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)

aaahczvo

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3251444

Reference Citation

The crystal structure and related material properties of HoTmPb4 were obtained from the Materials Project database (MP-ID: mp-3251444, 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_HoTmPb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.65470457
_cell_length_b   8.65470518
_cell_length_c   4.46987503
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   150.04210257
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoTmPb4
_chemical_formula_sum   'Ho1 Tm1 Pb4'
_cell_volume   167.19246055
_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
  Ho  Ho0  1  0.40418467  0.59581533  0.25000000  1.0
  Tm  Tm1  1  0.59600508  0.40399492  0.75000100  1.0
  Pb  Pb2  1  0.75158508  0.24841492  0.25000000  1.0
  Pb  Pb3  1  0.06717620  0.93282380  0.25000000  1.0
  Pb  Pb4  1  0.93368800  0.06631200  0.75000100  1.0
  Pb  Pb5  1  0.24736098  0.75263902  0.75000100  1.0

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