SmSbTe

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1019138 · Space group: P4/nmm (#129)

Materials Project API

Basic Information

Formula

SmSbTe

MP-ID

mp-1019138

Elements

Sites

Density

7.5254

g/cm³

Volume

176.40

Å³

Cell a

4.3100

Cell b

4.3100

Cell c

9.4962

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4/nmm

Point Group

4/mmm

Crystal System

Tetragonal

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
22.66	3.9247	14.4	(1,0,1)
27.96	3.1913	14.6	(1,0,2)
28.19	3.1654	44.4	(0,0,3)
29.31	3.0476	24.5	(1,1,0)
30.81	2.9019	100.0	(1,1,1)
34.99	2.5648	91.3	(1,1,2)
35.18	2.5513	64.0	(1,0,3)
37.90	2.3741	3.7	(0,0,4)
41.92	2.1550	62.1	(2,0,0)
43.52	2.0795	5.6	(1,0,4)
47.90	1.8992	1.5	(0,0,5)
48.17	1.8890	4.0	(2,1,1)
48.61	1.8729	7.7	(1,1,4)
51.15	1.7860	5.4	(2,1,2)
51.29	1.7814	33.4	(2,0,3)
52.66	1.7380	15.3	(1,0,5)
55.84	1.6463	33.8	(2,1,3)
57.15	1.6119	6.0	(1,1,5)
57.78	1.5957	4.4	(2,0,4)
60.78	1.5238	20.5	(2,2,0)
62.02	1.4964	3.9	(2,1,4)
62.52	1.4857	14.5	(1,0,6)
65.51	1.4249	2.2	(2,0,5)
66.58	1.4046	8.9	(1,1,6)

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Energy Properties

Formation Energy/atom

-1.29930

eV/atom

Energy/atom

-5.29626

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-28.2865

eV/atom

Volume/atom

29.40

Å³

c/a Ratio

2.2033

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

K_VRH

59.933

GPa

G_VRH

29.721

GPa

Young's Modulus E

76.515

GPa

Poisson Ratio ν

0.287

Pugh Ratio K/G

2.017

Vickers Hardness Est.

3.403

GPa

Ductility

Brittle

Anisotropy

1.101

Lame λ

40.119

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sm · 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

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.854%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4271

smaller = more stable mixing

VEC

5.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

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

Sm-rich Multi-Component

Matrix Element

Sm · 0.333

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

1.1010

Homogeneous Poisson ν

0.2870

Debye Temperature

317.6

Sound Velocity

2,216.2

m/s

Homogeneity

0.2870

Related Tasks

Related computation task IDs (5)

aaadmrhh aaadsten aaaeikti aaaeuqvz aaafscjg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1019138

Reference Citation

The crystal structure and related material properties of SmSbTe were obtained from the Materials Project database (MP-ID: mp-1019138, 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_SmSbTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31000974
_cell_length_b   4.31000974
_cell_length_c   9.49618131
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmSbTe
_chemical_formula_sum   'Sm2 Sb2 Te2'
_cell_volume   176.40281092
_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
  Sm  Sm0  1  0.75000000  0.75000000  0.72523585  1.0
  Sm  Sm1  1  0.25000000  0.25000000  0.27476415  1.0
  Sb  Sb2  1  0.75000000  0.25000000  -0.00000000  1.0
  Sb  Sb3  1  0.25000000  0.75000000  -0.00000000  1.0
  Te  Te4  1  0.75000000  0.75000000  0.37536694  1.0
  Te  Te5  1  0.25000000  0.25000000  0.62463306  1.0

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