Ba2DyInTe5
Ba2DyInTe5 has a DFT band gap of 0.71 eV across 3 reported structures in 2 space groups. Cross-validated across 3 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Ba2DyInTe5, 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.
0.71 eV
Range across DFT structures
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.
0.011 eV/atom
Best (lowest) across sources
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.
Near hull (likely stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
3
3 databases, 2 space groups
Validation
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Ba2DyInTe5. 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.
1.00 / 1.00
Trust tier: medium
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
0.000 eV
EAH spread across sources
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
2
jarvis, materials_project
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
All match
Reference
Frequently Asked Questions
Common questions about Ba2DyInTe5, answered from cross-validated data.
What is the band gap of Ba2DyInTe5?
Ba2DyInTe5 has a DFT-computed band gap of 0.71 eV across 3 reported structures.
More questions
Is Ba2DyInTe5 a metal, semiconductor, or insulator?
With a band gap up to 0.71 eV it is a semiconductor.
Is Ba2DyInTe5 thermodynamically stable?
Ba2DyInTe5 has a lowest energy above hull of 0.011 eV/atom (near hull (likely stable)).
How many polymorphs of Ba2DyInTe5 are known?
3 structures of Ba2DyInTe5 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Ba2DyInTe5 contain?
Ba2DyInTe5 contains Ba, Dy, In, and Te (4 elements).
Where does the data for Ba2DyInTe5 come from?
Ba2DyInTe5 data is cross-referenced from latticegraph.
Explore
Related Compounds
Other Phase-Change Memory Materials in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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