CrTe
CrTe is a metallic chromium telluride compound known for its structural complexity and its status as a metastable material in solid-state research.
About CrTe
CrTe is a metallic compound composed of chromium and tellurium. Its electronic character is defined by a lack of a band gap, marking it as a conductive material within the transition metal chalcogenide family.
Despite its thermodynamic status as a metastable phase situated above the hull, this compound has garnered significant attention in materials science. It is characterized by its high structural diversity, with numerous reported configurations across various databases.
Key Properties
Cross-validated computational properties for CrTe, 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 CrTe. 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 CrTe, 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 | 0.1278 | -0.047 | — |
| — | — | 0.00 | 0.1279 | -0.047 | — |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.1407 | -6.645 | 6.42 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.1419 | -6.644 | 6.36 |
| — | — | 0.00 | 0.1651 | -0.010 | — |
| — | — | 0.00 | 0.1656 | -0.009 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.1663 | 0.028 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.1663 | 0.028 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.1664 | 0.028 | — |
| Fm-3m (No. 225) | cubic | 0.00 | 0.1775 | -6.609 | 6.37 |
| Fm-3m (No. 225) | cubic | 0.00 | 0.1947 | 0.056 | — |
| — | — | 0.00 | 0.2232 | 0.048 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting CrTe.
Applications
Where CrTe is used.
Frequently Asked Questions
Common questions about CrTe, answered from cross-validated data.
What is CrTe?
CrTe is a metallic chromium telluride compound known for its structural complexity and its status as a metastable material in solid-state research.
What is CrTe used for?
What is the band gap of CrTe?
Is CrTe a metal, semiconductor, or insulator?
Is CrTe thermodynamically stable?
How many polymorphs of CrTe are known?
How is CrTe synthesized?
What elements does CrTe contain?
Where does the data for CrTe come from?
How It Compares
As a standalone entry in this context, CrTe serves as a primary example of the structural variability inherent in chromium-based chalcogenides, demonstrating how metastable phases can be extensively cataloged and studied for their unique physical properties.
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)
- 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.
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