BaMgMn4O8
This complex oxide is a member of the hollandite-type mineral group, characterized by a tunnel structure that allows for the incorporation of various ions. It is primarily studied for its potential utility in electrochemical energy storage systems and as a catalyst in chemical oxidation processes.
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.
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. |
|---|---|---|---|---|---|
| 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 |
| P-31m (No. 162) | — | — | — | — | — |
| C2 (No. 5) | Monoclinic | — | — | — | 4.86 |
| C2 (No. 5) | Monoclinic | — | — | — | 5.32 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.94 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.25 |
| C2 (No. 5) | Monoclinic | — | — | — | 5.09 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.49 |
Applications
Where BaMgMn4O8 is used.
Frequently Asked Questions
Common questions about BaMgMn4O8, answered from cross-validated data.
What is BaMgMn4O8?
This complex oxide is a member of the hollandite-type mineral group, characterized by a tunnel structure that allows for the incorporation of various ions. It is primarily studied for its potential utility in electrochemical energy storage systems and as a catalyst in chemical oxidation processes.
What is BaMgMn4O8 used for?
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?
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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