BiTeO4
BiTeO4 is a thermodynamically stable semiconducting oxide composed of bismuth, tellurium, and oxygen.
About BiTeO4
BiTeO4 is a stable inorganic compound composed of bismuth, tellurium, and oxygen. As a semiconducting material, it occupies a unique position in solid-state chemistry, characterized by its presence on the thermodynamic convex hull, which indicates high stability under standard conditions. Its structural versatility is highlighted by multiple documented crystal configurations across various research databases. This material is of significant interest for researchers investigating complex oxide systems where electronic and structural stability are paramount. Its semiconducting nature suggests potential utility in electronic and optoelectronic devices, where controlled charge transport is essential for performance.
Key Properties
Cross-validated computational properties for BiTeO4, 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 BiTeO4, 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. |
|---|---|---|---|---|---|
| Cc (No. 9) | monoclinic | 2.20 | 0.0000 | -6.085 | 7.98 |
| C2 (No. 5) | monoclinic | 2.20 | 0.0045 | -6.080 | 8.00 |
| P1 (No. 1) | triclinic | 2.17 | 0.5973 | -5.487 | 6.90 |
| Cc (No. 9) | — | — | — | — | — |
| C2 (No. 5) | Monoclinic | — | — | — | 7.71 |
| C2 (No. 5) | Monoclinic | — | — | — | 8.35 |
| C2 (No. 5) | Monoclinic | — | — | — | 7.95 |
Applications
Where BiTeO4 is used.
Frequently Asked Questions
Common questions about BiTeO4, answered from cross-validated data.
What is BiTeO4?
BiTeO4 is a thermodynamically stable semiconducting oxide composed of bismuth, tellurium, and oxygen.
What is BiTeO4 used for?
What is the band gap of BiTeO4?
Is BiTeO4 a metal, semiconductor, or insulator?
Is BiTeO4 thermodynamically stable?
What is the crystal structure of BiTeO4?
What is the density of BiTeO4?
How many polymorphs of BiTeO4 are known?
What elements does BiTeO4 contain?
Where does the data for BiTeO4 come from?
How It Compares
As a distinct oxide, BiTeO4 serves as a foundational example of complex bismuth-tellurium-oxygen systems. While it exists as a singular point of study in this context, it represents a stable benchmark for investigating the interplay between heavy metal cations and oxygen coordination in semiconducting frameworks.
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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