MgCo3BiO8
MgCo3BiO8 is a metastable, semiconducting quaternary oxide composed of magnesium, cobalt, and bismuth.
About MgCo3BiO8
MgCo3BiO8 is a complex oxide featuring a combination of magnesium, cobalt, and bismuth. As a semiconducting material, it offers unique electronic properties that distinguish it from simple binary oxides, making it a subject of interest for researchers investigating multi-component transition metal systems. The compound is characterized as metastable, suggesting that its synthesis requires precise control over processing conditions to stabilize its specific atomic arrangement. Its existence within a diverse landscape of reported structural configurations highlights the complexity of its phase space and the potential for tuning its properties through structural modification.
Key Properties
Cross-validated computational properties for MgCo3BiO8, 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 MgCo3BiO8, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 0.00 | 0.0872 | -6.603 | 5.48 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.1117 | -6.578 | 5.37 |
| R3m (No. 160) | trigonal | 0.88 | 0.1746 | -6.516 | 5.48 |
| P-1 (No. 2) | triclinic | 0.56 | 0.1799 | -6.510 | 5.57 |
| R3m (No. 160) | Trigonal | — | — | — | 5.48 |
| R3m (No. 160) | Trigonal | — | — | — | 6.73 |
| R3m (No. 160) | Trigonal | — | — | — | 6.11 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.57 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.16 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.99 |
| R-3m (No. 166) | Trigonal | — | — | — | 5.48 |
| R-3m (No. 166) | Trigonal | — | — | — | 6.02 |
Frequently Asked Questions
Common questions about MgCo3BiO8, answered from cross-validated data.
What is MgCo3BiO8?
MgCo3BiO8 is a metastable, semiconducting quaternary oxide composed of magnesium, cobalt, and bismuth.
What is the band gap of MgCo3BiO8?
Is MgCo3BiO8 a metal, semiconductor, or insulator?
Is MgCo3BiO8 thermodynamically stable?
What is the crystal structure of MgCo3BiO8?
What is the density of MgCo3BiO8?
How many polymorphs of MgCo3BiO8 are known?
What elements does MgCo3BiO8 contain?
Where does the data for MgCo3BiO8 come from?
How It Compares
As a unique multi-element oxide, MgCo3BiO8 occupies a specialized niche in materials science. Without direct structural siblings in its immediate category, it serves as a distinct example of how incorporating heavy elements like bismuth into a magnesium-cobalt framework can yield complex, semiconducting architectures that deviate from more common, highly stable oxide phases.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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