KSe
Potassium selenide is a binary inorganic compound composed of potassium and selenium. It is primarily utilized in specialized chemical synthesis and as a precursor for the development of advanced semiconductor materials.
KSe
Overview
Key Properties
Cross-validated computational properties for KSe, 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.
0.18–0.70 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.
0.000 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.
On hull (stable)
4 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
156
6 databases, 30 space groups
Validation
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of KSe. 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: high
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.
3
jarvis, materials_project, nomad
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
All match
Crystallography
Reported Structures
Lowest-energy structures reported for KSe, 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. |
|---|---|---|---|---|---|
| P-62m (No. 189) | hexagonal | 0.70 | 0.0000 | -3.482 | 2.81 |
| Cmce (No. 64) | orthorhombic | 0.18 | 0.1598 | -3.322 | 3.03 |
| Fm-3m (No. 225) | cubic | 0.00 | 0.4820 | -3.000 | 2.56 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.25 |
| P-62m (No. 189) | Hexagonal | — | — | — | 2.73 |
| P-62m (No. 189) | Hexagonal | — | — | — | 2.79 |
| P-62m (No. 189) | Hexagonal | — | — | — | 2.78 |
| P21 (No. 4) | Monoclinic | — | — | — | 3.76 |
| P213 (No. 198) | Cubic | — | — | — | 3.17 |
| P213 (No. 198) | Cubic | — | — | — | 2.94 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 2.61 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 2.80 |
Uses
Applications
Where KSe is used.
Semiconductor researchChemical synthesisMaterials science development
Reference
Frequently Asked Questions
Common questions about KSe, answered from cross-validated data.
What is KSe?
Potassium selenide is a binary inorganic compound composed of potassium and selenium. It is primarily utilized in specialized chemical synthesis and as a precursor for the development of advanced semiconductor materials.
More questions
What is KSe used for?
KSe is used in semiconductor research, chemical synthesis, and materials science development.
What is the band gap of KSe?
KSe has a DFT-computed band gap of 0.18–0.70 eV across 156 reported structures.
Is KSe a metal, semiconductor, or insulator?
With a band gap up to 0.70 eV it is a semiconductor.
Is KSe thermodynamically stable?
Yes — KSe sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of KSe?
The lowest-energy reported polymorph of KSe is hexagonal symmetry, space group P-62m (No. 189).
What is the density of KSe?
The computed density of the ground-state structure of KSe is 2.81 g/cm³.
How many polymorphs of KSe are known?
156 structures of KSe are reported across 6 databases, spanning 30 distinct space groups.
What elements does KSe contain?
KSe contains K and Se (2 elements).
Where does the data for KSe come from?
KSe data is cross-referenced from materials_project, mpaloe, omat24, cod, nomad.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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