MnAlO3
Manganese aluminum oxide is a mixed metal oxide material that belongs to the perovskite family of crystalline structures. It is primarily studied for its magnetic and structural properties in advanced materials research.
Overview
Key Properties
Cross-validated computational properties for MnAlO3, 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.
0.55–1.25 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.
0.046 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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
21
3 databases, 6 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for MnAlO3, 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-1 (No. 2) | triclinic | 1.25 | 0.0463 | -8.224 | 4.43 |
| Pnma (No. 62) | orthorhombic | 0.55 | 0.1479 | -8.123 | 4.30 |
| Cmc21 (No. 36) | orthorhombic | 0.96 | 0.1768 | -8.094 | 4.24 |
| P63cm (No. 185) | hexagonal | 0.00 | 0.2697 | -8.001 | 4.18 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.2711 | -7.999 | 4.16 |
| Pm-3m (No. 221) | cubic | 0.00 | 1.2896 | -6.981 | 4.06 |
| P-1 (No. 2) | triclinic | 0.00 | 4.9517 | -3.319 | 4.41 |
| P-1 (No. 2) | — | — | — | — | — |
| Cmc21 (No. 36) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 4.76 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 4.30 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 4.24 |
Uses
Applications
Where MnAlO3 is used.
Materials science researchMagnetic property studiesSolid-state chemistry investigations
Reference
Frequently Asked Questions
Common questions about MnAlO3, answered from cross-validated data.
What is MnAlO3?
Manganese aluminum oxide is a mixed metal oxide material that belongs to the perovskite family of crystalline structures. It is primarily studied for its magnetic and structural properties in advanced materials research.
More questions
What is MnAlO3 used for?
MnAlO3 is used in materials science research, magnetic property studies, and solid-state chemistry investigations.
What is the band gap of MnAlO3?
MnAlO3 has a DFT-computed band gap of 0.55–1.25 eV across 21 reported structures.
Is MnAlO3 a metal, semiconductor, or insulator?
With a band gap up to 1.25 eV it is a semiconductor.
Is MnAlO3 thermodynamically stable?
MnAlO3 has a lowest energy above hull of 0.046 eV/atom (metastable).
What is the crystal structure of MnAlO3?
The lowest-energy reported polymorph of MnAlO3 is triclinic symmetry, space group P-1 (No. 2).
What is the density of MnAlO3?
The computed density of the ground-state structure of MnAlO3 is 4.43 g/cm³.
How many polymorphs of MnAlO3 are known?
21 structures of MnAlO3 are reported across 3 databases, spanning 6 distinct space groups.
What elements does MnAlO3 contain?
MnAlO3 contains Al, Mn, and O (3 elements).
Where does the data for MnAlO3 come from?
MnAlO3 data is cross-referenced from materials_project, jarvis, mpaloe.
Explore
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
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.
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