CaBi2O5
Calcium bismuth oxide is a complex inorganic ceramic material composed of calcium, bismuth, and oxygen. It is primarily studied for its structural properties and potential utility in advanced electronic and optical materials research.
BiCaO
Overview
Key Properties
Cross-validated computational properties for CaBi2O5, aggregated across 2 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.
0.05–0.90 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.
14
2 databases, 5 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for CaBi2O5, 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. |
|---|---|---|---|---|---|
| Pbca (No. 61) | orthorhombic | 0.05 | 0.0000 | -6.293 | 7.08 |
| C2/c (No. 15) | monoclinic | 0.00 | 0.0354 | -6.258 | 6.27 |
| P21/c (No. 14) | monoclinic | 0.90 | 0.0773 | -6.216 | 5.89 |
| Pmmn (No. 59) | orthorhombic | 0.00 | 0.1958 | -6.097 | 6.13 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.1967 | -6.096 | 5.58 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 6.13 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 6.32 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 6.49 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 5.58 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 5.86 |
| P21/c (No. 14) | Monoclinic | — | — | — | 5.89 |
| P21/c (No. 14) | Monoclinic | — | — | — | 6.04 |
Uses
Applications
Where CaBi2O5 is used.
Materials science researchSolid-state chemistryDielectric material development
Reference
Frequently Asked Questions
Common questions about CaBi2O5, answered from cross-validated data.
What is CaBi2O5?
Calcium bismuth oxide is a complex inorganic ceramic material composed of calcium, bismuth, and oxygen. It is primarily studied for its structural properties and potential utility in advanced electronic and optical materials research.
More questions
What is CaBi2O5 used for?
CaBi2O5 is used in materials science research, solid-state chemistry, and dielectric material development.
What is the band gap of CaBi2O5?
CaBi2O5 has a DFT-computed band gap of 0.05–0.90 eV across 14 reported structures.
Is CaBi2O5 a metal, semiconductor, or insulator?
With a band gap up to 0.90 eV it is a semiconductor.
Is CaBi2O5 thermodynamically stable?
Yes — CaBi2O5 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of CaBi2O5?
The lowest-energy reported polymorph of CaBi2O5 is orthorhombic symmetry, space group Pbca (No. 61).
What is the density of CaBi2O5?
The computed density of the ground-state structure of CaBi2O5 is 7.08 g/cm³.
How many polymorphs of CaBi2O5 are known?
14 structures of CaBi2O5 are reported across 2 databases, spanning 5 distinct space groups.
What elements does CaBi2O5 contain?
CaBi2O5 contains Bi, Ca, and O (3 elements).
Where does the data for CaBi2O5 come from?
CaBi2O5 data is cross-referenced from materials_project, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
Analyze CaBi2O5 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →