CaSiN2
CaSiN2 has a DFT band gap of 2.20–3.51 eV across 5 reported structures in 4 space groups. Cross-validated across 3 computational databases.
At a glance
Key Properties
Cross-validated computational properties for CaSiN2, 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.
2.20–3.51 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)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
3 databases, 4 space groups
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting CaSiN2.
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 CaSiN2, answered from cross-validated data.
What is the band gap of CaSiN2?
CaSiN2 has a DFT-computed band gap of 2.20–3.51 eV across 5 reported structures.
More questions
Is CaSiN2 a metal, semiconductor, or insulator?
With a wide band gap up to 3.51 eV it is an insulator / wide-band-gap material.
Is CaSiN2 thermodynamically stable?
Yes — CaSiN2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of CaSiN2 are known?
5 structures of CaSiN2 are reported across 3 databases, spanning 4 distinct space groups.
How is CaSiN2 synthesized?
Literature-reported routes for CaSiN2 include solid state (3 procedures documented).
What elements does CaSiN2 contain?
CaSiN2 contains Ca, N, and Si (3 elements).
Where does the data for CaSiN2 come from?
CaSiN2 data is cross-referenced from latticegraph.
Reading
Related Research
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Related Compounds
Other Nitride Semiconductors in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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