Na4C2O5
Na4C2O5 is a semiconducting, metastable inorganic compound composed of sodium, carbon, and oxygen.
About Na4C2O5
Na4C2O5 is a complex sodium-carbon-oxygen compound that exhibits semiconducting electronic behavior. Its composition reflects a unique arrangement of carbon and oxygen within a sodium-rich framework, positioning it as a subject of interest for fundamental solid-state research.
Due to its position above the thermodynamic hull, this material is considered metastable under standard conditions. The existence of multiple reported structural configurations suggests a complex energy landscape, making it a nuanced candidate for computational studies in inorganic materials science.
Key Properties
Cross-validated computational properties for Na4C2O5, aggregated across 3 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 Na4C2O5, 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. |
|---|---|---|---|---|---|
| Cm (No. 8) | monoclinic | 2.74 | 0.1133 | -6.190 | 2.32 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.32 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.42 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.35 |
| Cm (No. 8) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Na4C2O5, answered from cross-validated data.
What is Na4C2O5?
Na4C2O5 is a semiconducting, metastable inorganic compound composed of sodium, carbon, and oxygen.
What is the band gap of Na4C2O5?
Is Na4C2O5 a metal, semiconductor, or insulator?
Is Na4C2O5 thermodynamically stable?
What is the crystal structure of Na4C2O5?
What is the density of Na4C2O5?
How many polymorphs of Na4C2O5 are known?
What elements does Na4C2O5 contain?
Where does the data for Na4C2O5 come from?
How It Compares
As a unique inorganic compound with no direct structural siblings currently classified alongside it, Na4C2O5 represents a distinct point in chemical space. Its metastability and semiconducting nature distinguish it from more common, highly stable sodium salts, highlighting the diversity of phases possible in alkali-metal-based carbon systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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