ScTe
ScTe is a thermodynamically stable metallic compound consisting of scandium and tellurium atoms.
About ScTe
ScTe is a metallic compound formed from the transition metal scandium and the metalloid tellurium. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement that persists under standard conditions.
The material is characterized by its distinct electronic nature, exhibiting metallic behavior rather than insulating or semiconducting properties. Its structural landscape is remarkably diverse, with a high volume of reported configurations across major materials databases, highlighting its significance in fundamental solid-state research.
Key Properties
Cross-validated computational properties for ScTe, aggregated across 5 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 ScTe. 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 ScTe, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0000 | -1.225 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0000 | -6.126 | 5.55 |
| — | — | 0.00 | 0.0000 | -1.172 | — |
| — | — | 0.00 | 0.0111 | -1.160 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0119 | -1.213 | — |
| — | — | 0.00 | 0.0130 | -1.158 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0141 | -6.112 | 5.61 |
| — | — | 0.00 | 0.0691 | -1.102 | — |
| — | — | 0.00 | 0.0720 | -1.099 | — |
| — | — | 0.00 | 0.0820 | -1.089 | — |
| — | — | 0.00 | 0.2474 | -0.924 | — |
| — | — | 0.00 | 0.3975 | -0.774 | — |
Frequently Asked Questions
Common questions about ScTe, answered from cross-validated data.
What is ScTe?
ScTe is a thermodynamically stable metallic compound consisting of scandium and tellurium atoms.
What is the band gap of ScTe?
Is ScTe a metal, semiconductor, or insulator?
Is ScTe thermodynamically stable?
What is the crystal structure of ScTe?
How many polymorphs of ScTe are known?
What elements does ScTe contain?
Where does the data for ScTe come from?
How It Compares
As a singular entry in this specific compositional space, ScTe serves as a primary reference point for understanding the bonding interactions between scandium and tellurium. Its stability and metallic character define the baseline for exploring related binary chalcogenides within this group.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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