Basic Information
Formula
SnC
MP-ID
mp-1009822
Elements
2
Sites
2
Density
7.8998
g/cm³
Volume
27.48
ų
Cell a
3.3871
Å
Cell b
3.3871
Å
Cell c
3.3871
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cF
Stability
No
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 7)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 32.37 | 2.7656 | 100.0 | (1,1,1) |
| 37.55 | 2.3951 | 72.1 | (1,1,0) |
| 54.16 | 1.6936 | 49.9 | (2,1,1) |
| 64.52 | 1.4443 | 46.3 | (2,2,1) |
| 67.77 | 1.3828 | 17.2 | (2,2,2) |
| 80.15 | 1.1975 | 8.4 | (2,2,0) |
| 89.10 | 1.0989 | 21.6 | (3,2,2) |
Energy Properties
Formation Energy/atom
1.29553
eV/atom
Energy/atom
-16.05118
eV/atom
Energy above Hull
1.2955
eV/atom
Uncorrected Energy
-5.3236
eV/atom
Volume/atom
13.74
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0022
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000080
μB/ų
Elastic Properties
KVRH
130.966
GPa
GVRH
99.677
GPa
Young's Modulus E
238.519
GPa
Poisson Ratio ν
0.196
Pugh Ratio K/G
1.314
Vickers Hardness Est.
18.453
GPa
Ductility
Ductile
Anisotropy
0.159
Lame λ
64.515
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sn · 0.500
Element Family
PostTransition-Noble
Solute Fraction
0.500
Interstitial Fraction
0.500
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.1590
Homogeneous Poisson ν
0.1960
Debye Temperature
487.2
K
Sound Velocity
3,920.0
m/s
Homogeneity
0.1960
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1009822
Reference Citation
The crystal structure and related material properties of SnC were obtained from the Materials Project database (MP-ID: mp-1009822, 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 3.38711785
_cell_length_b 3.38711785
_cell_length_c 3.38711785
_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 27.47741826
_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 0.50000000 0.50000000 0.50000000 1.0
