K3NbSe4
This compound is a quaternary chalcogenide belonging to a class of materials often studied for their structural properties and potential electronic characteristics. It is primarily utilized in academic research settings to explore the synthesis and behavior of transition metal selenides.
Key Properties
Cross-validated computational properties for K3NbSe4, aggregated across 4 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.
Reported Structures
Lowest-energy structures reported for K3NbSe4, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 1.89 | 0.0000 | -4.783 | 3.29 |
| I-43m (No. 217) | — | — | — | — | — |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.26 |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.18 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.23 |
Applications
Where K3NbSe4 is used.
Frequently Asked Questions
Common questions about K3NbSe4, answered from cross-validated data.
What is K3NbSe4?
This compound is a quaternary chalcogenide belonging to a class of materials often studied for their structural properties and potential electronic characteristics. It is primarily utilized in academic research settings to explore the synthesis and behavior of transition metal selenides.
What is K3NbSe4 used for?
What is the band gap of K3NbSe4?
Is K3NbSe4 a metal, semiconductor, or insulator?
Is K3NbSe4 thermodynamically stable?
What is the crystal structure of K3NbSe4?
What is the density of K3NbSe4?
How many polymorphs of K3NbSe4 are known?
What elements does K3NbSe4 contain?
Where does the data for K3NbSe4 come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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