Ba3MgMn3O9
Ba3MgMn3O9 is a complex semiconducting oxide containing barium, magnesium, and manganese that exists as a metastable phase.
About Ba3MgMn3O9
Ba3MgMn3O9 is a complex oxide composed of barium, magnesium, manganese, and oxygen. As a semiconducting material, it represents a specific arrangement of these elements that has been documented across various structural configurations in materials databases.
While this compound is currently identified as being above the thermodynamic hull, its existence in multiple structural forms highlights the complexity of the barium-magnesium-manganese-oxygen system. Research into such phases is essential for understanding the limits of structural stability and phase formation in complex oxide chemistry.
Key Properties
Cross-validated computational properties for Ba3MgMn3O9, aggregated across 2 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 Ba3MgMn3O9, 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. |
|---|---|---|---|---|---|
| Cm (No. 8) | monoclinic | 1.07 | 0.1090 | -7.415 | 5.46 |
| Cm (No. 8) | monoclinic | 0.29 | 0.1342 | -7.389 | 5.40 |
| P1 (No. 1) | triclinic | 0.68 | 0.1412 | -7.382 | 5.39 |
| R3m (No. 160) | trigonal | 0.78 | 0.1415 | -7.382 | 5.42 |
| P1 (No. 1) | Triclinic | — | — | — | 5.39 |
| P1 (No. 1) | Triclinic | — | — | — | 5.89 |
| R3m (No. 160) | Trigonal | — | — | — | 5.68 |
| R3m (No. 160) | Trigonal | — | — | — | 5.89 |
| R3m (No. 160) | Trigonal | — | — | — | 5.42 |
| P1 (No. 1) | Triclinic | — | — | — | 5.65 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.46 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.98 |
Frequently Asked Questions
Common questions about Ba3MgMn3O9, answered from cross-validated data.
What is Ba3MgMn3O9?
Ba3MgMn3O9 is a complex semiconducting oxide containing barium, magnesium, and manganese that exists as a metastable phase.
What is the band gap of Ba3MgMn3O9?
Is Ba3MgMn3O9 a metal, semiconductor, or insulator?
Is Ba3MgMn3O9 thermodynamically stable?
What is the crystal structure of Ba3MgMn3O9?
What is the density of Ba3MgMn3O9?
How many polymorphs of Ba3MgMn3O9 are known?
What elements does Ba3MgMn3O9 contain?
Where does the data for Ba3MgMn3O9 come from?
How It Compares
As a unique complex oxide, Ba3MgMn3O9 serves as an interesting case study for understanding how transition metals and alkaline earth elements organize into non-equilibrium structures, providing insight into the broader landscape of metastable semiconducting oxides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
Analyze Ba3MgMn3O9 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →