Metal
Iron carbide, cementite structure (Fe3C)
Open JARVIS-DFT screening card for Fe3C: density, elastic moduli, structure, and selected calculated electronic/energy fields.
Properties
Physical
| Property | Value | Unit |
|---|---|---|
| Density | 7304 | kg/m^3 |
Mechanical
| Property | Value | Unit |
|---|---|---|
| Bulk modulus | 187.69 | GPa |
| Shear modulus | 71.59 | GPa |
| Young's modulus | 190.5438248826143 | GPa |
| Poisson's ratio | 0.34 | - |
Electronic
| Property | Value | Unit |
|---|---|---|
| DFT band gap | 0 | eV |
Identity
| Property | Value | Unit |
|---|---|---|
| Chemical formula | Fe3C | - |
Structure
| Property | Value | Unit |
|---|---|---|
| Crystal system | orthorhombic | - |
| Space group | Pnma (No. 62) | - |
Thermodynamic
| Property | Value | Unit |
|---|---|---|
| Formation energy per atom | 0.08671 | eV/atom |
Units
Condition
- Condition
- ideal computational crystal
- Product form
- periodic bulk crystal model
- Thickness / diameter range
- Not applicable to the computational unit cell.
- Test direction
- Voigt isotropic elastic average.
- Processing route
- Static DFT relaxation using the upstream JARVIS workflow.
- Temperature range
- 0 ... 0 K
- Notes
- Computational screening values, not measured material-card values. Verify phase, composition, porosity, defects, temperature, processing, and product form.
Standards
No material standards linked.
Record status
- Category
- Metal
- Unit system
- Common SI