BeCN
BeCN is a wide-band-gap insulating ternary compound that exists as a metastable phase with several identified structural configurations.
About BeCN
BeCN is an insulating material composed of beryllium, carbon, and nitrogen. Its electronic character is defined by a wide band gap, placing it firmly in the category of dielectric or insulating solids. Because it is found above the thermodynamic hull, it is considered a metastable or potentially unstable phase under standard conditions.
Despite its thermodynamic profile, the compound has been the subject of significant computational interest, with multiple distinct structural arrangements identified across various databases. Understanding these configurations is essential for researchers investigating the limits of beryllium-based ternary systems and their potential for specialized electronic applications.
Key Properties
Cross-validated computational properties for BeCN, 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 BeCN, 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. |
|---|---|---|---|---|---|
| P42nm (No. 102) | tetragonal | 5.91 | 0.2264 | -8.001 | 1.25 |
| P21/m (No. 11) | Monoclinic | — | — | — | 2.02 |
| P21/m (No. 11) | Monoclinic | — | — | — | 2.32 |
| P1 (No. 1) | Triclinic | — | — | — | 3.74 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 2.23 |
| P-6m2 (No. 187) | — | — | — | — | — |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 2.71 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 2.09 |
Applications
Where BeCN is used.
Frequently Asked Questions
Common questions about BeCN, answered from cross-validated data.
What is BeCN?
BeCN is a wide-band-gap insulating ternary compound that exists as a metastable phase with several identified structural configurations.
What is BeCN used for?
What is the band gap of BeCN?
Is BeCN a metal, semiconductor, or insulator?
Is BeCN thermodynamically stable?
What is the crystal structure of BeCN?
What is the density of BeCN?
How many polymorphs of BeCN are known?
What elements does BeCN contain?
Where does the data for BeCN come from?
How It Compares
As a unique ternary phase, BeCN represents a specialized area of study within beryllium-carbon-nitrogen chemistry. Without direct structural siblings in this specific class, it serves as a primary example of how light-element combinations can form complex, wide-gap insulating architectures that challenge conventional thermodynamic stability predictions.
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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