SiC2

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1019097 · Space group: P4_2/mmc (#131)

Materials Project API

Basic Information

Formula

SiC2

MP-ID

mp-1019097

Elements

Sites

Density

2.4782

g/cm³

Volume

69.83

Å³

Cell a

3.1858

Cell b

3.1858

Cell c

6.8803

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4_2/mmc

Point Group

4/mmm

Crystal System

Tetragonal

Bravais Lattice

Stability

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 20)

2θ	d (Å)	I	hkl
25.90	3.4401	34.4	(0,0,2)
28.01	3.1858	100.0	(1,0,0)
30.93	2.8909	59.3	(1,0,1)
38.52	2.3374	79.2	(1,0,2)
40.02	2.2527	3.1	(1,1,0)
48.29	1.8846	58.1	(1,1,2)
48.94	1.8613	1.4	(1,0,3)
53.26	1.7201	1.9	(0,0,4)
57.89	1.5929	29.2	(2,0,0)
61.24	1.5136	19.5	(1,0,4)
64.46	1.4455	11.2	(2,0,2)
65.52	1.4247	16.0	(2,1,0)
67.09	1.3951	6.1	(2,1,1)
68.65	1.3671	28.9	(1,1,4)
71.70	1.3163	24.7	(2,1,2)
75.22	1.2633	3.1	(1,0,5)
82.54	1.1687	2.9	(2,0,4)
84.49	1.1467	4.2	(0,0,6)
86.38	1.1263	9.1	(2,2,0)
89.27	1.0972	14.6	(2,1,4)

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Energy Properties

Formation Energy/atom

0.35897

eV/atom

Energy/atom

-9.19711

eV/atom

Energy above Hull

0.5629

eV/atom

Uncorrected Energy

-7.5338

eV/atom

Volume/atom

11.64

Å³

c/a Ratio

2.1597

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0051

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000070

μB/Å³

Elastic Properties

K_VRH

165.345

GPa

G_VRH

58.095

GPa

Young's Modulus E

156.013

GPa

Poisson Ratio ν

0.343

Pugh Ratio K/G

2.846

Vickers Hardness Est.

3.333

GPa

Ductility

Brittle

Anisotropy

7.009

Lame λ

126.615

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

C · 0.667

Element Family

N/A

Solute Fraction

0.333

Interstitial Fraction

1.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.503

Family

Binary Alloy

Matrix Element

C · 0.667

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

7.0090

Homogeneous Poisson ν

0.3430

Debye Temperature

714.3

Sound Velocity

5,438.3

m/s

Homogeneity

0.3430

Related Tasks

Related computation task IDs (5)

aaadoowb aaadutvp aaadxlps aaaeqepz aaafblzc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1019097

Reference Citation

The crystal structure and related material properties of SiC2 were obtained from the Materials Project database (MP-ID: mp-1019097, 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_SiC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18576100
_cell_length_b   3.18576100
_cell_length_c   6.88027700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiC2
_chemical_formula_sum   'Si2 C4'
_cell_volume   69.82843456
_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
  Si  Si0  1  0.00000000  0.00000000  0.75000000  1.0
  Si  Si1  1  0.00000000  0.00000000  0.25000000  1.0
  C  C2  1  0.00000000  0.50000000  0.40079800  1.0
  C  C3  1  0.50000000  0.00000000  0.90079800  1.0
  C  C4  1  0.00000000  0.50000000  0.59920200  1.0
  C  C5  1  0.50000000  0.00000000  0.09920200  1.0

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