Mg2H2O3
This compound is a magnesium-based hydroxide oxide material. It is primarily studied for its role in hydrogen storage research and as a precursor in the synthesis of advanced ceramic materials.
HMgO
Overview
Key Properties
Cross-validated computational properties for Mg2H2O3, 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.
3.57 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.
0.020 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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Mg2H2O3, 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 | 3.57 | 0.0202 | -5.835 | 2.77 |
| P-3m1 (No. 164) | — | — | — | — | — |
| P-3m1 (No. 164) | Trigonal | — | — | — | 2.61 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 2.71 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 2.65 |
Uses
Applications
Where Mg2H2O3 is used.
Hydrogen storage researchCeramic precursor synthesisMaterials science research
Reference
Frequently Asked Questions
Common questions about Mg2H2O3, answered from cross-validated data.
What is Mg2H2O3?
This compound is a magnesium-based hydroxide oxide material. It is primarily studied for its role in hydrogen storage research and as a precursor in the synthesis of advanced ceramic materials.
More questions
What is Mg2H2O3 used for?
Mg2H2O3 is used in hydrogen storage research, ceramic precursor synthesis, and materials science research.
What is the band gap of Mg2H2O3?
Mg2H2O3 has a DFT-computed band gap of 3.57 eV across 5 reported structures.
Is Mg2H2O3 a metal, semiconductor, or insulator?
With a wide band gap up to 3.57 eV it is an insulator / wide-band-gap material.
Is Mg2H2O3 thermodynamically stable?
Mg2H2O3 has a lowest energy above hull of 0.020 eV/atom (near hull (likely stable)).
What is the crystal structure of Mg2H2O3?
The lowest-energy reported polymorph of Mg2H2O3 is trigonal symmetry, space group P-3m1 (No. 164).
What is the density of Mg2H2O3?
The computed density of the ground-state structure of Mg2H2O3 is 2.77 g/cm³.
How many polymorphs of Mg2H2O3 are known?
5 structures of Mg2H2O3 are reported across 3 databases, spanning 1 distinct space group.
What elements does Mg2H2O3 contain?
Mg2H2O3 contains H, Mg, and O (3 elements).
Where does the data for Mg2H2O3 come from?
Mg2H2O3 data is cross-referenced from materials_project, jarvis, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
Analyze Mg2H2O3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →