MgHO
Magnesium hydroxide · Magnesia hydrate, Milk of magnesia
Magnesium hydroxide is an inorganic compound that appears as a white solid. It is widely utilized as a common antacid and laxative in medicine, as well as a flame retardant in various industrial materials.
HMgO
Overview
Key Properties
Cross-validated computational properties for Magnesium hydroxide, aggregated across 4 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.
4.21 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
13
4 databases, 6 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for MgHO, 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. |
|---|---|---|---|---|---|
| P-3m1 (No. 164) | trigonal | 4.18 | 0.0000 | -5.666 | 2.90 |
| C2 (No. 5) | monoclinic | 4.21 | 0.0094 | -5.656 | 2.68 |
| P3m1 (No. 156) | trigonal | 0.00 | 0.2415 | -5.424 | 2.50 |
| P21 (No. 4) | Monoclinic | — | — | — | 2.21 |
| P21 (No. 4) | Monoclinic | — | — | — | 2.34 |
| P21 (No. 4) | Monoclinic | — | — | — | 2.51 |
| Pm (No. 6) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.67 |
| No. 0 | unknown | — | — | — | 1.90 |
| No. 0 | unknown | — | — | — | 1.67 |
| No. 0 | unknown | — | — | — | 1.69 |
| No. 0 | unknown | — | — | — | 1.96 |
Uses
Applications
Where Magnesium hydroxide is used.
Pharmaceutical antacidsLaxativesFlame retardantsWastewater treatmentFood additive
Reference
Frequently Asked Questions
Common questions about Magnesium hydroxide, answered from cross-validated data.
What is MgHO?
Magnesium hydroxide is an inorganic compound that appears as a white solid. It is widely utilized as a common antacid and laxative in medicine, as well as a flame retardant in various industrial materials.
More questions
What is MgHO used for?
Magnesium hydroxide (MgHO) is used in pharmaceutical antacids, laxatives, flame retardants, wastewater treatment, and food additive.
What is the band gap of MgHO?
Magnesium hydroxide (MgHO) has a DFT-computed band gap of 4.21 eV across 13 reported structures.
Is MgHO a metal, semiconductor, or insulator?
With a wide band gap up to 4.21 eV it is an insulator / wide-band-gap material.
Is MgHO thermodynamically stable?
Yes — Magnesium hydroxide (MgHO) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of MgHO?
The lowest-energy reported polymorph of Magnesium hydroxide (MgHO) is trigonal symmetry, space group P-3m1 (No. 164).
What is the density of MgHO?
The computed density of the ground-state structure of Magnesium hydroxide (MgHO) is 2.90 g/cm³.
How many polymorphs of MgHO are known?
13 structures of MgHO are reported across 4 databases, spanning 6 distinct space groups.
What elements does MgHO contain?
Magnesium hydroxide (MgHO) contains H, Mg, and O (3 elements).
Where does the data for MgHO come from?
MgHO data is cross-referenced from materials_project, mpaloe, jarvis, cod.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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