Mg2C3
magnesium sesquicarbide · dimagnesium tricarbide
Magnesium sesquicarbide is a metallic carbide that reacts with water to produce propyne gas. It is primarily studied for its chemical properties and its role as a precursor in the synthesis of various organic compounds.
Key Properties
Cross-validated computational properties for magnesium sesquicarbide, 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 Mg2C3, 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. |
|---|---|---|---|---|---|
| Pnnm (No. 58) | orthorhombic | 1.65 | 0.1724 | -7.464 | 2.20 |
| P2 (No. 3) | Monoclinic | — | — | — | 2.67 |
| P2 (No. 3) | Monoclinic | — | — | — | 2.45 |
| P2 (No. 3) | Monoclinic | — | — | — | 2.35 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.10 |
| Pnnm (No. 58) | — | — | — | — | — |
| Pnnm (No. 58) | Orthorhombic | — | — | — | 2.27 |
| Pnnm (No. 58) | Orthorhombic | — | — | — | 2.20 |
| Pnnm (No. 58) | Orthorhombic | — | — | — | 2.22 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.25 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.14 |
Applications
Where magnesium sesquicarbide is used.
Frequently Asked Questions
Common questions about magnesium sesquicarbide, answered from cross-validated data.
What is Mg2C3?
Magnesium sesquicarbide is a metallic carbide that reacts with water to produce propyne gas. It is primarily studied for its chemical properties and its role as a precursor in the synthesis of various organic compounds.
What is Mg2C3 used for?
What is the band gap of Mg2C3?
Is Mg2C3 a metal, semiconductor, or insulator?
Is Mg2C3 thermodynamically stable?
What is the crystal structure of Mg2C3?
What is the density of Mg2C3?
How many polymorphs of Mg2C3 are known?
What elements does Mg2C3 contain?
Where does the data for Mg2C3 come from?
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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