Bi2TeO5
Bi2TeO5 is a thermodynamically stable semiconducting material composed of bismuth, tellurium, and oxygen.
About Bi2TeO5
Bi2TeO5 is a complex bismuth tellurium oxide that exists in a thermodynamically stable state on the convex hull. As a semiconducting material, it offers unique electronic properties that make it a subject of interest for researchers investigating functional inorganic compounds. The material has been identified in multiple structural configurations across various databases, highlighting its structural versatility. Its stability suggests potential for integration into robust device architectures where reliable material performance is required. Ongoing studies continue to map its behavior, positioning it as a notable candidate within the landscape of bismuth-based semiconductors.
Key Properties
Cross-validated computational properties for Bi2TeO5, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Bi2TeO5. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Bi2TeO5, 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. |
|---|---|---|---|---|---|
| Aem2 (No. 39) | orthorhombic | 2.43 | 0.0000 | -6.103 | 7.85 |
| Aem2 (No. 39) | orthorhombic | 2.26 | 0.0000 | -1.328 | — |
| — | — | 1.99 | 0.0000 | -1.466 | — |
| Aem2 (No. 39) | orthorhombic | — | — | — | 7.88 |
| Aem2 (No. 39) | orthorhombic | — | — | — | 7.71 |
| Aem2 (No. 39) | orthorhombic | — | — | — | 7.90 |
| Aem2 (No. 39) | orthorhombic | — | — | — | 8.07 |
| Aem2 (No. 39) | orthorhombic | — | — | — | 7.53 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Bi2TeO5.
Applications
Where Bi2TeO5 is used.
Frequently Asked Questions
Common questions about Bi2TeO5, answered from cross-validated data.
What is Bi2TeO5?
Bi2TeO5 is a thermodynamically stable semiconducting material composed of bismuth, tellurium, and oxygen.
What is Bi2TeO5 used for?
What is the band gap of Bi2TeO5?
Is Bi2TeO5 a metal, semiconductor, or insulator?
Is Bi2TeO5 thermodynamically stable?
What is the crystal structure of Bi2TeO5?
What is the density of Bi2TeO5?
How many polymorphs of Bi2TeO5 are known?
How is Bi2TeO5 synthesized?
What elements does Bi2TeO5 contain?
Where does the data for Bi2TeO5 come from?
How It Compares
As a distinct semiconducting oxide, Bi2TeO5 represents a specialized composition within the broader family of bismuth-tellurium-oxygen systems. While it lacks direct structural siblings in this specific context, its thermodynamic stability distinguishes it as a reliable phase for fundamental investigations into semiconductor physics and potential optoelectronic utility.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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