V3Si
V3Si has a DFT band gap of Metallic / not reported across 91 reported structures in 20 space groups; its lowest-energy polymorph is cubic (Pm-3n (No. 223)). Cross-validated across 3 computational databases.
At a glance
Key Properties
Cross-validated computational properties for V3Si, 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.
Metallic / not reported
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.
91
3 databases, 20 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for V3Si, 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. |
|---|---|---|---|---|---|
| Pm-3n (No. 223) | cubic | 0.00 | 0.0000 | -13.258 | 5.85 |
| Im-3m (No. 229) | cubic | 0.00 | 1.1180 | -12.140 | 5.04 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.07 |
| R3m (No. 160) | Trigonal | — | — | — | 6.33 |
| P1 (No. 1) | Triclinic | — | — | — | 4.19 |
| R3m (No. 160) | Trigonal | — | — | — | 4.52 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.65 |
| P1 (No. 1) | Triclinic | — | — | — | 3.68 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 4.97 |
| P1 (No. 1) | Triclinic | — | — | — | 4.21 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.24 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.61 |
Reference
Frequently Asked Questions
Common questions about V3Si, answered from cross-validated data.
What is the band gap of V3Si?
V3Si is computed to be metallic (no band gap) in the reported DFT structures.
More questions
Is V3Si a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is V3Si thermodynamically stable?
Yes — V3Si sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of V3Si?
The lowest-energy reported polymorph of V3Si is cubic symmetry, space group Pm-3n (No. 223).
What is the density of V3Si?
The computed density of the ground-state structure of V3Si is 5.85 g/cm³.
How many polymorphs of V3Si are known?
91 structures of V3Si are reported across 3 databases, spanning 20 distinct space groups.
What elements does V3Si contain?
V3Si contains Si and V (2 elements).
Where does the data for V3Si come from?
V3Si data is cross-referenced from materials_project, mpaloe, jarvis.
Explore
Related Compounds
Other Silicon Anode Materials in the database.
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).
Analyze V3Si in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →