NbBiO4
NbBiO4 is a thermodynamically stable semiconducting perovskite oxide used in materials research.
About NbBiO4
NbBiO4 is a semiconducting oxide that belongs to the extensive family of perovskite-structured materials. As a thermodynamically stable compound residing on the convex hull, it represents a robust phase that is of significant interest for fundamental materials science studies and potential functional applications.
Its electronic character makes it a candidate for investigation in semiconductor-based technologies. With multiple reported structures across various databases, this compound is a well-documented subject for researchers looking to understand the interplay between bismuth-based chemistry and perovskite lattice dynamics.
Key Properties
Cross-validated computational properties for NbBiO4, 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.
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.
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.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for NbBiO4, 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. |
|---|---|---|---|---|---|
| Pnna (No. 52) | orthorhombic | 2.94 | 0.0000 | -8.152 | 7.16 |
| P-1 (No. 2) | triclinic | 2.52 | 0.0031 | -8.149 | 7.34 |
| C2 (No. 5) | monoclinic | 2.31 | 0.0687 | -8.083 | 6.19 |
| Cm (No. 8) | — | — | — | — | — |
| Pnna (No. 52) | — | — | — | — | — |
| C2 (No. 5) | Monoclinic | — | — | — | 6.19 |
| P-1 (No. 2) | Triclinic | — | — | — | 7.47 |
| P-1 (No. 2) | Triclinic | — | — | — | 7.10 |
| Pnna (No. 52) | Orthorhombic | — | — | — | 6.92 |
| C2 (No. 5) | Monoclinic | — | — | — | 6.33 |
| C2 (No. 5) | Monoclinic | — | — | — | 6.40 |
| P-1 (No. 2) | Triclinic | — | — | — | 7.24 |
Applications
Where NbBiO4 is used.
Frequently Asked Questions
Common questions about NbBiO4, answered from cross-validated data.
What is NbBiO4?
NbBiO4 is a thermodynamically stable semiconducting perovskite oxide used in materials research.
What is NbBiO4 used for?
What is the band gap of NbBiO4?
Is NbBiO4 a metal, semiconductor, or insulator?
Is NbBiO4 thermodynamically stable?
What is the crystal structure of NbBiO4?
What is the density of NbBiO4?
How many polymorphs of NbBiO4 are known?
What elements does NbBiO4 contain?
Where does the data for NbBiO4 come from?
How It Compares
Within the perovskite oxides class.
Within the diverse class of perovskite oxides, NbBiO4 occupies a distinct niche compared to well-known functional materials like BaTiO3 or BiFeO3. While many of its siblings, such as LaMnO3 or LaCoO3, are heavily studied for their magnetic and catalytic properties, NbBiO4 offers a unique semiconducting profile that complements the broader structural diversity found in the lanthanum-based perovskite family.
Related Compounds
Other Perovskite Oxides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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