BaMgMn4O8
BaMgMn4O8 is a semiconducting manganese oxide compound characterized by its complex structural framework and metastable thermodynamic state.
About BaMgMn4O8
BaMgMn4O8 is a complex oxide featuring barium, magnesium, and manganese. As a semiconducting material, it represents a specific arrangement of transition metal polyhedra that has been the subject of investigation across multiple structural databases.
Due to its position relative to the thermodynamic ground state, this compound is considered metastable. Its study provides valuable insight into the structural diversity of manganese-based oxides and the stabilization of complex lattice frameworks.
Key Properties
Cross-validated computational properties for BaMgMn4O8, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of BaMgMn4O8. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for BaMgMn4O8, 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-31m (No. 162) | trigonal | 0.00 | 0.1401 | -2.024 | — |
| C2 (No. 5) | monoclinic | 0.75 | 0.1547 | -7.892 | 4.86 |
| Cm (No. 8) | monoclinic | 0.00 | 0.2018 | -7.845 | 4.94 |
| P-31m (No. 162) | trigonal | 0.00 | 0.2190 | -7.828 | 4.47 |
| C2 (No. 5) | monoclinic | — | — | — | 5.09 |
| Cm (No. 8) | monoclinic | — | — | — | 5.25 |
| C2 (No. 5) | monoclinic | — | — | — | 4.86 |
| Cm (No. 8) | monoclinic | — | — | — | 4.94 |
| Cm (No. 8) | monoclinic | — | — | — | 5.49 |
| C2 (No. 5) | monoclinic | — | — | — | 5.32 |
Frequently Asked Questions
Common questions about BaMgMn4O8, answered from cross-validated data.
What is BaMgMn4O8?
BaMgMn4O8 is a semiconducting manganese oxide compound characterized by its complex structural framework and metastable thermodynamic state.
What is the band gap of BaMgMn4O8?
Is BaMgMn4O8 a metal, semiconductor, or insulator?
Is BaMgMn4O8 thermodynamically stable?
What is the crystal structure of BaMgMn4O8?
What is the density of BaMgMn4O8?
How many polymorphs of BaMgMn4O8 are known?
What elements does BaMgMn4O8 contain?
Where does the data for BaMgMn4O8 come from?
How It Compares
As a unique manganese-based oxide, BaMgMn4O8 occupies a distinct niche in the landscape of complex transition metal oxides, serving as a reference point for understanding the structural phase space of barium-magnesium-manganese systems.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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