Sm2InPb3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3252349 · Space group: Cmmm (#65)

Materials Project API

Basic Information

Formula

Sm2InPb3

MP-ID

mp-3252349

Elements

Sites

Density

10.1318

g/cm³

Volume

169.98

Å³

Cell a

8.2535

Cell b

8.2535

Cell c

4.6890

α Angle

90.00

β Angle

90.00

γ Angle

147.85

Space Group

Cmmm

Point Group

mmm

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
22.02	4.0363	7.1	(1,-1,1)
32.16	2.7830	100.0	(2,-1,1)
33.91	2.6436	19.0	(3,-3,0)
34.41	2.6062	6.4	(3,-2,0)
38.39	2.3445	16.3	(0,0,2)
39.43	2.2855	15.2	(1,1,0)
45.61	1.9888	2.3	(2,0,1)
49.94	1.8261	4.3	(4,-4,1)
52.14	1.7541	11.4	(3,-3,2)
52.50	1.7430	4.0	(3,-2,2)
52.96	1.7289	5.4	(4,-2,0)
52.96	1.7289	5.4	(2,-4,0)
56.21	1.6366	10.9	(1,1,2)
59.58	1.5517	12.1	(5,-4,1)
65.42	1.4267	2.0	(5,-3,1)
65.42	1.4267	2.0	(3,-5,1)
65.54	1.4243	13.2	(2,-1,3)
66.96	1.3975	12.4	(3,0,1)
67.29	1.3915	5.3	(4,-2,2)
67.29	1.3915	5.3	(2,-4,2)
68.20	1.3752	1.3	(6,-5,0)
68.20	1.3752	1.3	(5,-6,0)
71.36	1.3218	1.3	(6,-6,0)
77.81	1.2275	1.2	(4,-4,3)

Get direct link

Energy Properties

Formation Energy/atom

-0.58519

eV/atom

Energy/atom

-42.40183

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-42.4018

eV/atom

Volume/atom

28.33

Å³

c/a Ratio

0.5681

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 · 0.500

Element Family

PostTransition-Noble

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0114

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.4088

J/mol·K

Ω Parameter

1.5608

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

3.573%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5198

smaller = more stable mixing

VEC

4.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.419

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9206

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.630

Family

Pb-rich Multi-Component

Matrix Element

Pb · 0.500

Related Tasks

Related computation task IDs (1)

aaahdbej

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3252349

Reference Citation

The crystal structure and related material properties of Sm2InPb3 were obtained from the Materials Project database (MP-ID: mp-3252349, 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_Sm2InPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.25346612
_cell_length_b   8.25346555
_cell_length_c   4.68902787
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   147.84829436
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2InPb3
_chemical_formula_sum   'Sm2 In1 Pb3'
_cell_volume   169.98087879
_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
  Sm  Sm0  1  0.85128009  0.14871991  0.00000000  1.0
  Sm  Sm1  1  0.14871991  0.85128009  0.00000000  1.0
  In  In2  1  0.00000000  0.00000000  0.50000000  1.0
  Pb  Pb3  1  0.50000000  0.50000000  0.00000000  1.0
  Pb  Pb4  1  0.67559664  0.32440336  0.50000000  1.0
  Pb  Pb5  1  0.32440336  0.67559664  0.50000000  1.0

Get direct link