Bi2O7Te2
Bi2O7Te2 is a stable semiconducting bismuth tellurite oxide used in materials science research.
About Bi2O7Te2
Bi2O7Te2 is a complex bismuth tellurite oxide that exists as a thermodynamically stable phase on the convex hull. Its electronic character as a semiconductor makes it an intriguing subject for research into oxide-based functional materials.
Because it occupies a stable position in the phase space, this compound represents a well-defined structural arrangement of bismuth, tellurium, and oxygen. It is primarily studied for its potential roles in specialized electronic or optical material frameworks.
Key Properties
Cross-validated computational properties for Bi2O7Te2, 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 Bi2O7Te2. 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 Bi2O7Te2, 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. |
|---|---|---|---|---|---|
| Pbcn (No. 60) | orthorhombic | 2.56 | 0.0000 | -6.042 | 7.23 |
| — | — | — | — | — | 5.30 |
| Pbcn (No. 60) | orthorhombic | — | — | — | 0.94 |
Applications
Where Bi2O7Te2 is used.
Frequently Asked Questions
Common questions about Bi2O7Te2, answered from cross-validated data.
What is Bi2O7Te2?
Bi2O7Te2 is a stable semiconducting bismuth tellurite oxide used in materials science research.
What is Bi2O7Te2 used for?
What is the band gap of Bi2O7Te2?
Is Bi2O7Te2 a metal, semiconductor, or insulator?
Is Bi2O7Te2 thermodynamically stable?
What is the crystal structure of Bi2O7Te2?
What is the density of Bi2O7Te2?
How many polymorphs of Bi2O7Te2 are known?
What elements does Bi2O7Te2 contain?
Where does the data for Bi2O7Te2 come from?
How It Compares
As a distinct bismuth tellurite, Bi2O7Te2 serves as a foundational example of this specific chemical family, representing a stable stoichiometry that provides a benchmark for understanding how bismuth and tellurium interact within an oxide lattice.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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