MgBiO2
This inorganic compound is a complex oxide containing magnesium and bismuth. It is primarily utilized in advanced materials research for its potential electronic and structural properties in solid-state chemistry.
BiMgO
Overview
Key Properties
Cross-validated computational properties for MgBiO2, 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.
0.15–2.48 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.
0.047 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.
31
3 databases, 17 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for MgBiO2, 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/m (No. 12) | monoclinic | 2.07 | 0.0467 | -6.166 | 6.99 |
| P-1 (No. 2) | triclinic | 0.58 | 0.0613 | -6.101 | 6.99 |
| P1 (No. 1) | triclinic | 0.33 | 0.0890 | -6.073 | 7.03 |
| P1 (No. 1) | triclinic | 1.42 | 0.1054 | -6.057 | 6.49 |
| Cm (No. 8) | monoclinic | 0.46 | 0.1256 | -6.037 | 6.54 |
| Imma (No. 74) | orthorhombic | 1.68 | 0.1259 | -6.087 | 7.01 |
| Cm (No. 8) | monoclinic | 1.39 | 0.1295 | -6.083 | 6.99 |
| Cm (No. 8) | monoclinic | 1.32 | 0.1401 | -6.072 | 6.96 |
| Cm (No. 8) | monoclinic | 0.59 | 0.1472 | -6.015 | 5.84 |
| Cm (No. 8) | monoclinic | 0.59 | 0.1604 | -6.002 | 5.17 |
| R3m (No. 160) | trigonal | 1.50 | 0.1681 | -6.044 | 6.86 |
| P3m1 (No. 156) | trigonal | 1.39 | 0.1717 | -6.041 | 6.87 |
Uses
Applications
Where MgBiO2 is used.
Materials science researchSolid-state chemistry studiesExperimental electronic device development
Reference
Frequently Asked Questions
Common questions about MgBiO2, answered from cross-validated data.
What is MgBiO2?
This inorganic compound is a complex oxide containing magnesium and bismuth. It is primarily utilized in advanced materials research for its potential electronic and structural properties in solid-state chemistry.
More questions
What is MgBiO2 used for?
MgBiO2 is used in materials science research, solid-state chemistry studies, and experimental electronic device development.
What is the band gap of MgBiO2?
MgBiO2 has a DFT-computed band gap of 0.15–2.48 eV across 31 reported structures.
Is MgBiO2 a metal, semiconductor, or insulator?
With a band gap up to 2.48 eV it is a semiconductor.
Is MgBiO2 thermodynamically stable?
MgBiO2 has a lowest energy above hull of 0.047 eV/atom (metastable).
What is the crystal structure of MgBiO2?
The lowest-energy reported polymorph of MgBiO2 is monoclinic symmetry, space group C2/m (No. 12).
What is the density of MgBiO2?
The computed density of the ground-state structure of MgBiO2 is 6.99 g/cm³.
How many polymorphs of MgBiO2 are known?
31 structures of MgBiO2 are reported across 3 databases, spanning 17 distinct space groups.
What elements does MgBiO2 contain?
MgBiO2 contains Bi, Mg, and O (3 elements).
Where does the data for MgBiO2 come from?
MgBiO2 data is cross-referenced from materials_project.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
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