Ca2VBiO6
This complex oxide belongs to the double perovskite family of materials. It is primarily studied by researchers for its potential electronic and magnetic properties in advanced materials science applications.
BiCaOV
Overview
Key Properties
Cross-validated computational properties for Ca2VBiO6, 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.
0.64–3.10 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.
6
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Ca2VBiO6, 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. |
|---|---|---|---|---|---|
| Cmc21 (No. 36) | orthorhombic | 3.10 | 0.0000 | -7.414 | 4.74 |
| Fm-3m (No. 225) | cubic | 0.64 | 0.3855 | -7.029 | 5.10 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 4.74 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 5.05 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 4.85 |
| Cmc21 (No. 36) | — | — | — | — | — |
Uses
Applications
Where Ca2VBiO6 is used.
Solid-state physics researchMaterials science experimentationElectronic component development
Reference
Frequently Asked Questions
Common questions about Ca2VBiO6, answered from cross-validated data.
What is Ca2VBiO6?
This complex oxide belongs to the double perovskite family of materials. It is primarily studied by researchers for its potential electronic and magnetic properties in advanced materials science applications.
More questions
What is Ca2VBiO6 used for?
Ca2VBiO6 is used in solid-state physics research, materials science experimentation, and electronic component development.
What is the band gap of Ca2VBiO6?
Ca2VBiO6 has a DFT-computed band gap of 0.64–3.10 eV across 6 reported structures.
Is Ca2VBiO6 a metal, semiconductor, or insulator?
With a wide band gap up to 3.10 eV it is an insulator / wide-band-gap material.
Is Ca2VBiO6 thermodynamically stable?
Yes — Ca2VBiO6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Ca2VBiO6?
The lowest-energy reported polymorph of Ca2VBiO6 is orthorhombic symmetry, space group Cmc21 (No. 36).
What is the density of Ca2VBiO6?
The computed density of the ground-state structure of Ca2VBiO6 is 4.74 g/cm³.
How many polymorphs of Ca2VBiO6 are known?
6 structures of Ca2VBiO6 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Ca2VBiO6 contain?
Ca2VBiO6 contains Bi, Ca, O, and V (4 elements).
Where does the data for Ca2VBiO6 come from?
Ca2VBiO6 data is cross-referenced from materials_project, mpaloe, jarvis.
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).
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