SnC

Elasticity Data ELA

MP-ID: mp-1009820 · Space group: F-43m (#216)

Materials Project API

Basic Information

Formula

SnC

MP-ID

mp-1009820

Elements

Sites

Density

6.5973

g/cm³

Volume

32.90

Å³

Cell a

3.5968

Cell b

3.5968

Cell c

3.5968

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

F-43m

Point Group

-43m

Crystal System

Cubic

Bravais Lattice

Stability

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

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

Diffraction Peaks (Top 8)

2θ	d (Å)	I	hkl
30.44	2.9368	100.0	(1,1,1)
35.29	2.5433	42.2	(1,1,0)
50.77	1.7984	42.3	(2,1,1)
60.35	1.5337	44.8	(2,2,1)
63.34	1.4684	11.4	(2,2,2)
74.64	1.2717	7.0	(2,2,0)
82.70	1.1670	19.6	(3,1,1)
85.34	1.1374	16.3	(3,2,1)

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Energy Properties

Formation Energy/atom

0.81783

eV/atom

Energy/atom

-16.52888

eV/atom

Energy above Hull

0.8178

eV/atom

Uncorrected Energy

-5.8013

eV/atom

Volume/atom

16.45

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Non-metal

Band Gap

0.634

Direct Gap

Yes

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0010

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000030

μB/Å³

Elastic Properties

K_VRH

122.138

GPa

G_VRH

84.771

GPa

Young's Modulus E

206.531

GPa

Poisson Ratio ν

0.218

Pugh Ratio K/G

1.441

Vickers Hardness Est.

14.518

GPa

Ductility

Ductile

Anisotropy

0.631

Lame λ

65.624

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sn · 0.500

Element Family

PostTransition-Noble

Solute Fraction

0.500

Interstitial Fraction

0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.6310

Homogeneous Poisson ν

0.2180

Debye Temperature

464.0

Sound Velocity

3,965.2

m/s

Homogeneity

0.2180

Related Tasks

Related computation task IDs (6)

aaacifww aaaclmbu aaadrdep aaadxxgd aaaeofml aaafcngj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1009820

Reference Citation

The crystal structure and related material properties of SnC were obtained from the Materials Project database (MP-ID: mp-1009820, 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_SnC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59678350
_cell_length_b   3.59678350
_cell_length_c   3.59678350
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnC
_chemical_formula_sum   'Sn1 C1'
_cell_volume   32.90242382
_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
  Sn  Sn0  1  0.00000000  0.00000000  0.00000000  1.0
  C  C1  1  0.25000000  0.25000000  0.25000000  1.0

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