Sm3SnC

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-10718 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula

Sm3SnC

MP-ID

mp-10718

Elements

Sites

Density

5.1175

g/cm³

Volume

188.78

Å³

Cell a

5.7366

Cell b

5.7366

Cell c

5.7366

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pm-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Packing Fraction

0.5236

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 17)

2θ	d (Å)	I	hkl
15.45	5.7366	100.0	(1,0,0)
26.92	3.3120	62.8	(1,1,1)
31.18	2.8683	94.5	(2,0,0)
34.97	2.5655	56.0	(2,1,0)
44.68	2.0282	70.2	(2,2,0)
47.55	1.9122	30.2	(3,0,0)
52.94	1.7297	28.2	(3,1,1)
55.49	1.6560	24.7	(2,2,2)
57.96	1.5911	13.6	(3,2,0)
65.03	1.4342	11.5	(4,0,0)
67.30	1.3913	17.5	(3,2,2)
71.72	1.3161	11.1	(3,3,1)
73.88	1.2827	31.8	(4,2,0)
76.03	1.2518	12.6	(4,2,1)
82.35	1.1710	24.2	(4,2,2)
84.43	1.1473	6.1	(4,3,0)
88.58	1.1040	8.7	(5,1,1)

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Energy Properties

Formation Energy/atom

1.42648

eV/atom

Energy/atom

-4.05278

eV/atom

Energy above Hull

1.8866

eV/atom

Uncorrected Energy

-4.0528

eV/atom

Volume/atom

37.76

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0035

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000020

μB/Å³

Elastic Properties

K_VRH

36.568

GPa

G_VRH

9.516

GPa

Young's Modulus E

26.269

GPa

Poisson Ratio ν

0.380

Pugh Ratio K/G

3.843

Vickers Hardness Est.

0.000

GPa

Ductility

Brittle

Anisotropy

-69.451

Lame λ

30.224

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sm · 0.600

Element Family

Lanthanide

Solute Fraction

0.400

Interstitial Fraction

0.200

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9503

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.9005

J/mol·K

Ω Parameter

3.9000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

26.770%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5633

smaller = more stable mixing

VEC

5.200

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.388

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8650

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.374

Family

Interstitial Alloy

Matrix Element

Sm · 0.600

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

-69.4510

Homogeneous Poisson ν

0.3800

Debye Temperature

224.7

Sound Velocity

1,539.5

m/s

Homogeneity

0.3800

Related Tasks

Related computation task IDs (5)

aaadmuxn aaadswxk aaaeutrk aaafapcg aaafxhqe

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-10718

Reference Citation

The crystal structure and related material properties of Sm3SnC were obtained from the Materials Project database (MP-ID: mp-10718, 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…

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Raw CIF Data

# generated using pymatgen
data_Sm3SnC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73661000
_cell_length_b   5.73661000
_cell_length_c   5.73661000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3SnC
_chemical_formula_sum   'Sm3 Sn1 C1'
_cell_volume   188.78434476
_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  0.00000000  0.50000000  0.50000000  1.0
  Sm  Sm1  1  0.50000000  0.00000000  0.50000000  1.0
  Sm  Sm2  1  0.50000000  0.50000000  0.00000000  1.0
  Sn  Sn3  1  0.50000000  0.50000000  0.50000000  1.0
  C  C4  1  0.00000000  0.00000000  0.00000000  1.0

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