MgH2Cl2O
MgH2Cl2O is a thermodynamically stable, insulating inorganic compound composed of magnesium, hydrogen, chlorine, and oxygen.
About MgH2Cl2O
MgH2Cl2O is a structurally distinct inorganic compound characterized by its wide-band-gap insulating electronic profile. Its position on the thermodynamic convex hull indicates high stability, making it a reliable subject for fundamental research into complex magnesium-based chemical systems.
As a material that maintains structural integrity under standard conditions, it serves as a valuable case study for understanding how hydrogen, oxygen, and chlorine coordinate with magnesium. Its unique composition offers insights into the design of specialized insulating materials.
Key Properties
Cross-validated computational properties for MgH2Cl2O, 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 MgH2Cl2O, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 5.37 | 0.0000 | -4.635 | 2.05 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 1.96 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 2.01 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 1.97 |
| No. 0 | unknown | — | — | — | 0.51 |
Frequently Asked Questions
Common questions about MgH2Cl2O, answered from cross-validated data.
What is MgH2Cl2O?
MgH2Cl2O is a thermodynamically stable, insulating inorganic compound composed of magnesium, hydrogen, chlorine, and oxygen.
What is the band gap of MgH2Cl2O?
Is MgH2Cl2O a metal, semiconductor, or insulator?
Is MgH2Cl2O thermodynamically stable?
What is the crystal structure of MgH2Cl2O?
What is the density of MgH2Cl2O?
How many polymorphs of MgH2Cl2O are known?
What elements does MgH2Cl2O contain?
Where does the data for MgH2Cl2O come from?
How It Compares
As a unique inorganic entity, MgH2Cl2O represents a specialized structural arrangement within the broader landscape of magnesium-based compounds. While it does not share a direct structural family with common binary salts, its stability highlights the potential for complex, multi-anion magnesium phases to exist as robust, well-defined materials.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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