MnTe2
MnTe2 is a stable, metallic manganese telluride compound that is frequently characterized in structural materials research.
About MnTe2
MnTe2 is a metallic telluride compound that holds a position of thermodynamic stability on the convex hull. Its structural integrity is well-documented, supported by a vast array of reported structures across multiple crystallographic databases.
This material serves as a significant subject for researchers investigating metallic chalcogenides. Its stability and electronic nature make it a compelling candidate for fundamental studies in solid-state chemistry and advanced materials development.
Key Properties
Cross-validated computational properties for MnTe2, aggregated across 6 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 MnTe2. 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 MnTe2, 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. |
|---|---|---|---|---|---|
| — | — | 0.00 | 0.0000 | -0.220 | — |
| P-3m1 (No. 164) | trigonal | 0.00 | 0.0000 | -0.188 | — |
| Pa-3 (No. 205) | cubic | 0.00 | 0.0000 | -22.262 | 6.01 |
| — | — | 0.00 | 0.0058 | -0.214 | — |
| — | — | 0.00 | 0.0132 | -0.207 | — |
| — | — | 0.00 | 0.0539 | -0.166 | — |
| — | — | 0.00 | 0.0582 | -0.162 | — |
| — | — | 0.00 | 0.0627 | -0.157 | — |
| — | — | 0.00 | 0.0805 | -0.140 | — |
| — | — | 0.00 | 0.0812 | -0.139 | — |
| — | — | 0.00 | 0.0834 | -0.137 | — |
| — | — | 0.00 | 0.0953 | -0.125 | — |
Applications
Where MnTe2 is used.
Frequently Asked Questions
Common questions about MnTe2, answered from cross-validated data.
What is MnTe2?
MnTe2 is a stable, metallic manganese telluride compound that is frequently characterized in structural materials research.
What is MnTe2 used for?
What is the band gap of MnTe2?
Is MnTe2 a metal, semiconductor, or insulator?
Is MnTe2 thermodynamically stable?
What is the crystal structure of MnTe2?
What is the density of MnTe2?
How many polymorphs of MnTe2 are known?
What elements does MnTe2 contain?
Where does the data for MnTe2 come from?
How It Compares
As a thermodynamically stable metallic compound, MnTe2 represents a robust structural archetype within the broader family of manganese-based tellurides, providing a reliable baseline for studying the electronic behavior of transition metal chalcogenides.
Data sources & attribution
- 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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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