Basic Information
Formula
SiC
MP-ID
mp-1002206
Elements
2
Sites
2
Density
4.0085
g/cm³
Volume
16.61
ų
Cell a
2.8639
Å
Cell b
2.8639
Å
Cell c
2.8639
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 5)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 38.50 | 2.3384 | 48.4 | (1,1,1) |
| 44.75 | 2.0251 | 100.0 | (1,1,0) |
| 65.15 | 1.4320 | 59.2 | (2,1,1) |
| 78.29 | 1.2212 | 23.4 | (2,2,1) |
| 82.50 | 1.1692 | 20.5 | (2,2,2) |
Energy Properties
Formation Energy/atom
0.43680
eV/atom
Energy/atom
-8.92370
eV/atom
Energy above Hull
0.7427
eV/atom
Uncorrected Energy
-6.7880
eV/atom
Volume/atom
8.30
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
0.0017
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000100
μB/ų
Elastic Properties
KVRH
252.718
GPa
GVRH
221.298
GPa
Young's Modulus E
513.893
GPa
Poisson Ratio ν
0.161
Pugh Ratio K/G
1.142
Vickers Hardness Est.
-
GPa
Ductility
Ductile
Anisotropy
1.185
Lame λ
105.186
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Si · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
1.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.424
Family
Binary Alloy
Matrix Element
Si · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1002206
Reference Citation
The crystal structure and related material properties of SiC were obtained from the Materials Project database (MP-ID: mp-1002206, 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_SiC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.86392389
_cell_length_b 2.86392389
_cell_length_c 2.86392389
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SiC
_chemical_formula_sum 'Si1 C1'
_cell_volume 16.60999175
_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
Si Si0 1 0.00000000 0.00000000 0.00000000 1.0
C C1 1 0.50000000 0.50000000 0.50000000 1.0
