CaTa2Bi2O9
CaTa2Bi2O9 has a DFT band gap of 0.07–2.93 eV across 11 reported structures in 3 space groups. Cross-validated across 3 computational databases.
At a glance
Key Properties
Cross-validated computational properties for CaTa2Bi2O9, 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.
0.07–2.93 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.
11
3 databases, 3 space groups
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting CaTa2Bi2O9.
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 CaTa2Bi2O9, answered from cross-validated data.
What is the band gap of CaTa2Bi2O9?
CaTa2Bi2O9 has a DFT-computed band gap of 0.07–2.93 eV across 11 reported structures.
More questions
Is CaTa2Bi2O9 a metal, semiconductor, or insulator?
With a band gap up to 2.93 eV it is a semiconductor.
Is CaTa2Bi2O9 thermodynamically stable?
Yes — CaTa2Bi2O9 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of CaTa2Bi2O9 are known?
11 structures of CaTa2Bi2O9 are reported across 3 databases, spanning 3 distinct space groups.
How is CaTa2Bi2O9 synthesized?
Literature-reported routes for CaTa2Bi2O9 include solid state (3 procedures documented).
What elements does CaTa2Bi2O9 contain?
CaTa2Bi2O9 contains Bi, Ca, O, and Ta (4 elements).
Where does the data for CaTa2Bi2O9 come from?
CaTa2Bi2O9 data is cross-referenced from latticegraph.
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Related Compounds
Other Lead-Free Piezoelectrics in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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