MgCN
MgCN is a wide-band-gap insulating compound that exists in a metastable state.
About MgCN
MgCN is an insulating material characterized by a wide electronic band gap. Its structural landscape is represented by several distinct configurations identified across multiple databases, reflecting the complex bonding environment between magnesium, carbon, and nitrogen.
Because this compound sits above the thermodynamic hull, it is considered inherently unstable under standard conditions. Its study is primarily focused on understanding the metastable phases of light-element compounds and their potential formation pathways in extreme environments.
Key Properties
Cross-validated computational properties for MgCN, 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 MgCN, 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 | 6.20 | 0.4001 | -8.685 | 1.15 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.83 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.23 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.31 |
| P-6m2 (No. 187) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 2.99 |
| P1 (No. 1) | Triclinic | — | — | — | 2.69 |
| P1 (No. 1) | Triclinic | — | — | — | 2.83 |
Frequently Asked Questions
Common questions about MgCN, answered from cross-validated data.
What is MgCN?
MgCN is a wide-band-gap insulating compound that exists in a metastable state.
What is the band gap of MgCN?
Is MgCN a metal, semiconductor, or insulator?
Is MgCN thermodynamically stable?
What is the crystal structure of MgCN?
What is the density of MgCN?
How many polymorphs of MgCN are known?
What elements does MgCN contain?
Where does the data for MgCN come from?
How It Compares
As a unique inorganic compound, MgCN occupies a specialized niche where its electronic insulating properties are balanced against its high thermodynamic energy state, distinguishing it from more stable, naturally occurring magnesium-based ceramics.
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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