Ti2Si
Ti2Si has a DFT band gap of Metallic / not reported across 100 reported structures in 23 space groups. Cross-validated across 4 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Ti2Si, aggregated across 4 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.
0.968 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.
Above hull
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
100
4 databases, 23 space groups
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting Ti2Si.
Sol Gel
Procedure available · ceder_sol_gel
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Reference
Frequently Asked Questions
Common questions about Ti2Si, answered from cross-validated data.
What is the band gap of Ti2Si?
Ti2Si is computed to be metallic (no band gap) in the reported DFT structures.
More questions
Is Ti2Si a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Ti2Si thermodynamically stable?
Ti2Si has a lowest energy above hull of 0.968 eV/atom (above hull).
How many polymorphs of Ti2Si are known?
100 structures of Ti2Si are reported across 4 databases, spanning 23 distinct space groups.
How is Ti2Si synthesized?
Literature-reported routes for Ti2Si include sol gel, solid state (7 procedures documented).
What elements does Ti2Si contain?
Ti2Si contains Si and Ti (2 elements).
Where does the data for Ti2Si come from?
Ti2Si data is cross-referenced from latticegraph.
Reading
Related Research
Explore
Related Compounds
Other Silicon Anode Materials in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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