ScBiO3

ScBiO3 is a wide-band-gap insulating oxide that is theoretically predicted to be stable enough for potential laboratory synthesis.

BiOSc
Crystal structure of ScBiO3 (trigonal, R3c (No. 161))
Ground-state structure · Materials Project
Overview

About ScBiO3

ScBiO3 is an insulating ternary oxide composed of scandium, bismuth, and oxygen. Its electronic structure is characterized by a wide band gap, positioning it as a potential dielectric or insulating component in specialized electronic architectures. The material is considered to be near the thermodynamic hull, suggesting that it is likely synthesizable under appropriate experimental conditions. With numerous structural configurations documented across databases, it remains a subject of significant interest for materials discovery. Its stability and insulating nature make it relevant for fundamental studies in oxide physics and potential future applications in high-performance electronic devices where wide-gap materials are required.

At a glance

Key Properties

Cross-validated computational properties for ScBiO3, aggregated across 3 databases.

Band Gap

0.69–3.08 eV
Range across DFT structures

Energy Above Hull

0.021 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

19
3 databases, 6 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for ScBiO3, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
R3c (No. 161)trigonal3.080.0214-7.7977.08
Pnma (No. 62)orthorhombic2.910.0322-7.7867.48
Cc (No. 9)monoclinic2.690.0337-7.7857.10
C2/c (No. 15)monoclinic2.680.0345-7.7847.11
R-3 (No. 148)trigonal2.150.0736-7.7457.07
Pm-3m (No. 221)cubic0.690.3570-7.4617.40
Pnma (No. 62)Orthorhombic7.66
Cc (No. 9)Monoclinic7.10
Pnma (No. 62)Orthorhombic7.48
R-3 (No. 148)
Pm-3m (No. 221)
R-3 (No. 148)Trigonal7.35
Uses

Applications

Where ScBiO3 is used.

Electronic device researchDielectric material studiesAdvanced oxide physics
Reference

Frequently Asked Questions

Common questions about ScBiO3, answered from cross-validated data.

What is ScBiO3?

ScBiO3 is a wide-band-gap insulating oxide that is theoretically predicted to be stable enough for potential laboratory synthesis.

More questions
What is ScBiO3 used for?
ScBiO3 is used in electronic device research, dielectric material studies, and advanced oxide physics.
What is the band gap of ScBiO3?
ScBiO3 has a DFT-computed band gap of 0.69–3.08 eV across 19 reported structures.
Is ScBiO3 a metal, semiconductor, or insulator?
With a wide band gap up to 3.08 eV it is an insulator / wide-band-gap material.
Is ScBiO3 thermodynamically stable?
ScBiO3 has a lowest energy above hull of 0.021 eV/atom (near hull (likely stable)).
What is the crystal structure of ScBiO3?
The lowest-energy reported polymorph of ScBiO3 is trigonal symmetry, space group R3c (No. 161).
What is the density of ScBiO3?
The computed density of the ground-state structure of ScBiO3 is 7.08 g/cm³.
How many polymorphs of ScBiO3 are known?
19 structures of ScBiO3 are reported across 3 databases, spanning 6 distinct space groups.
What elements does ScBiO3 contain?
ScBiO3 contains Bi, O, and Sc (3 elements).
Where does the data for ScBiO3 come from?
ScBiO3 data is cross-referenced from materials_project, mpaloe, jarvis.
Comparison

How It Compares

As a unique ternary oxide, ScBiO3 occupies a distinct space in materials research. While it lacks direct structural siblings in this specific dataset, its status as a near-hull compound highlights its importance as a viable target for experimental synthesis compared to more unstable theoretical phases.

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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