Na2Se
Sodium selenide · Disodium selenide
Sodium selenide is an inorganic compound composed of sodium and selenium. It is primarily utilized as a chemical reagent in organic synthesis and as a precursor for the preparation of various selenium-containing materials.
NaSe
Overview
Key Properties
Cross-validated computational properties for Sodium selenide, 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.
2.02 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)
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
21
4 databases, 8 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Na2Se, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 2.02 | 0.0000 | -8.416 | 2.69 |
| Pmmm (No. 47) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.43 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.86 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.55 |
| C2/m (No. 12) | Monoclinic | — | — | — | 1.75 |
| C2/m (No. 12) | Monoclinic | — | — | — | 1.67 |
| Fm-3m (No. 225) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Amm2 (No. 38) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.63 |
Uses
Applications
Where Sodium selenide is used.
Organic synthesisSemiconductor material synthesisLaboratory chemical reagent
Reference
Frequently Asked Questions
Common questions about Sodium selenide, answered from cross-validated data.
What is Na2Se?
Sodium selenide is an inorganic compound composed of sodium and selenium. It is primarily utilized as a chemical reagent in organic synthesis and as a precursor for the preparation of various selenium-containing materials.
More questions
What is Na2Se used for?
Sodium selenide (Na2Se) is used in organic synthesis, semiconductor material synthesis, and laboratory chemical reagent.
What is the band gap of Na2Se?
Sodium selenide (Na2Se) has a DFT-computed band gap of 2.02 eV across 21 reported structures.
Is Na2Se a metal, semiconductor, or insulator?
With a band gap up to 2.02 eV it is a semiconductor.
Is Na2Se thermodynamically stable?
Yes — Sodium selenide (Na2Se) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Na2Se?
The lowest-energy reported polymorph of Sodium selenide (Na2Se) is cubic symmetry, space group Fm-3m (No. 225).
What is the density of Na2Se?
The computed density of the ground-state structure of Sodium selenide (Na2Se) is 2.69 g/cm³.
How many polymorphs of Na2Se are known?
21 structures of Na2Se are reported across 4 databases, spanning 8 distinct space groups.
What elements does Na2Se contain?
Sodium selenide (Na2Se) contains Na and Se (2 elements).
Where does the data for Na2Se come from?
Na2Se data is cross-referenced from materials_project, jarvis, mpaloe, nomad.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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