Sc4C3
Scandium carbide is a refractory ceramic material composed of scandium and carbon. It is primarily studied for its potential use in high-temperature structural applications and as a precursor in specialized materials science research.
CSc
Overview
Key Properties
Cross-validated computational properties for Sc4C3, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
0.33 eV
Range across DFT structures
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
0.000 eV/atom
Best (lowest) across sources
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
17
3 databases, 7 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Sc4C3, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| I-43d (No. 220) | cubic | 0.33 | 0.0000 | -11.400 | 3.82 |
| P2/m (No. 10) | Monoclinic | — | — | — | 3.15 |
| P1 (No. 1) | Triclinic | — | — | — | 3.43 |
| P1 (No. 1) | Triclinic | — | — | — | 3.31 |
| Pm (No. 6) | Monoclinic | — | — | — | 2.90 |
| Pm (No. 6) | Monoclinic | — | — | — | 2.85 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.06 |
| I-43d (No. 220) | — | — | — | — | — |
| P2/m (No. 10) | Monoclinic | — | — | — | 3.36 |
| R3m (No. 160) | Trigonal | — | — | — | 3.15 |
| P1 (No. 1) | Triclinic | — | — | — | 3.44 |
| I-43d (No. 220) | Cubic | — | — | — | 3.83 |
Uses
Applications
Where Sc4C3 is used.
High-temperature structural componentsMaterials science research
Reference
Frequently Asked Questions
Common questions about Sc4C3, answered from cross-validated data.
What is Sc4C3?
Scandium carbide is a refractory ceramic material composed of scandium and carbon. It is primarily studied for its potential use in high-temperature structural applications and as a precursor in specialized materials science research.
More questions
What is Sc4C3 used for?
Sc4C3 is used in high-temperature structural components and materials science research.
What is the band gap of Sc4C3?
Sc4C3 has a DFT-computed band gap of 0.33 eV across 17 reported structures.
Is Sc4C3 a metal, semiconductor, or insulator?
With a band gap up to 0.33 eV it is a semiconductor.
Is Sc4C3 thermodynamically stable?
Yes — Sc4C3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Sc4C3?
The lowest-energy reported polymorph of Sc4C3 is cubic symmetry, space group I-43d (No. 220).
What is the density of Sc4C3?
The computed density of the ground-state structure of Sc4C3 is 3.82 g/cm³.
How many polymorphs of Sc4C3 are known?
17 structures of Sc4C3 are reported across 3 databases, spanning 7 distinct space groups.
What elements does Sc4C3 contain?
Sc4C3 contains C and Sc (2 elements).
Where does the data for Sc4C3 come from?
Sc4C3 data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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