NaCO
NaCO is a metastable, semiconducting inorganic compound that exhibits diverse structural configurations in experimental and computational studies.
About NaCO
NaCO is a complex inorganic compound characterized by its semiconducting electronic nature. It represents a unique structural arrangement of sodium, carbon, and oxygen atoms, drawing interest from researchers investigating unconventional bonding environments in solid-state chemistry.
Due to its position above the thermodynamic hull, this material is considered metastable, which presents significant challenges for synthesis and practical implementation. Nevertheless, the existence of multiple reported structures across databases highlights its importance as a subject of fundamental materials research.
Key Properties
Cross-validated computational properties for NaCO, 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 NaCO, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 2.52 | 0.2276 | -7.219 | 2.19 |
| Fddd (No. 70) | orthorhombic | 1.01 | 0.2393 | -7.484 | 2.31 |
| P1 (No. 1) | triclinic | 0.92 | 0.2749 | -7.449 | 2.31 |
| P2/c (No. 13) | Monoclinic | — | — | — | 1.34 |
| P2/c (No. 13) | Monoclinic | — | — | — | 1.62 |
| P21/m (No. 11) | Monoclinic | — | — | — | 2.13 |
| P-6m2 (No. 187) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
Frequently Asked Questions
Common questions about NaCO, answered from cross-validated data.
What is NaCO?
NaCO is a metastable, semiconducting inorganic compound that exhibits diverse structural configurations in experimental and computational studies.
What is the band gap of NaCO?
Is NaCO a metal, semiconductor, or insulator?
Is NaCO thermodynamically stable?
What is the crystal structure of NaCO?
What is the density of NaCO?
How many polymorphs of NaCO are known?
What elements does NaCO contain?
Where does the data for NaCO come from?
How It Compares
As a metastable semiconducting phase, NaCO serves as a primary example of the structural complexity found in sodium-based carbon-oxygen systems, where thermodynamic instability often limits the formation of traditional crystalline lattices.
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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