Li2V3TeO8
Li2V3TeO8 is a metastable, semiconducting quaternary oxide composed of lithium, vanadium, tellurium, and oxygen.
About Li2V3TeO8
Li2V3TeO8 is a complex quaternary oxide that exhibits semiconducting electronic behavior. Its structural composition, involving lithium, vanadium, tellurium, and oxygen, places it within a niche category of materials characterized by diverse coordination environments and potential for electronic tuning.
As a metastable phase, this compound is of significant interest to materials scientists investigating synthesis pathways and structural evolution. Its presence across multiple databases highlights its role as a subject of ongoing computational and experimental research into complex oxide stability.
Key Properties
Cross-validated computational properties for Li2V3TeO8, aggregated across 2 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 Li2V3TeO8. 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 Li2V3TeO8, 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. |
|---|---|---|---|---|---|
| P31c (No. 159) | trigonal | 0.00 | 0.0578 | -7.539 | 4.48 |
| Cc (No. 9) | monoclinic | 0.01 | 0.0600 | -7.537 | 4.45 |
| R-3m (No. 166) | trigonal | 0.29 | 0.0609 | -7.536 | 4.28 |
| C2/c (No. 15) | monoclinic | 0.30 | 0.0619 | -7.535 | 4.29 |
| R3m (No. 160) | trigonal | 0.42 | 0.0624 | -7.535 | 4.29 |
| R-3 (No. 148) | trigonal | 0.28 | 0.0628 | -7.534 | 4.28 |
| P1 (No. 1) | triclinic | 1.19 | 0.0937 | -7.504 | 4.24 |
| P63mc (No. 186) | hexagonal | 0.44 | 0.0943 | -7.503 | 4.55 |
| P63mc (No. 186) | hexagonal | 0.00 | 0.1593 | -2.185 | — |
| R3m (No. 160) | trigonal | 0.21 | 0.1935 | -2.151 | — |
| R3m (No. 160) | trigonal | 0.21 | 0.1936 | -2.151 | — |
| P31c (No. 159) | trigonal | — | — | — | 4.70 |
Applications
Where Li2V3TeO8 is used.
Frequently Asked Questions
Common questions about Li2V3TeO8, answered from cross-validated data.
What is Li2V3TeO8?
Li2V3TeO8 is a metastable, semiconducting quaternary oxide composed of lithium, vanadium, tellurium, and oxygen.
What is Li2V3TeO8 used for?
What is the band gap of Li2V3TeO8?
Is Li2V3TeO8 a metal, semiconductor, or insulator?
Is Li2V3TeO8 thermodynamically stable?
What is the crystal structure of Li2V3TeO8?
What is the density of Li2V3TeO8?
How many polymorphs of Li2V3TeO8 are known?
What elements does Li2V3TeO8 contain?
Where does the data for Li2V3TeO8 come from?
How It Compares
As a unique quaternary oxide, Li2V3TeO8 represents a distinct structural configuration within the broader landscape of lithium-vanadium-tellurium-oxygen systems, serving as a specific case study for how metastable phases can be characterized and understood in materials informatics.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze Li2V3TeO8 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →