MgBi2O5
Magnesium bismuth oxide is a complex inorganic ceramic material composed of magnesium, bismuth, and oxygen. It is primarily studied for its structural properties and potential utility in advanced electronic or optical component development.
BiMgO
Overview
Key Properties
Cross-validated computational properties for MgBi2O5, 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.
0.28–0.56 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.
0.029 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.
16
3 databases, 6 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for MgBi2O5, 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. |
|---|---|---|---|---|---|
| Pbca (No. 61) | orthorhombic | 0.43 | 0.0286 | -6.104 | 7.58 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0636 | -6.069 | 6.70 |
| P21/c (No. 14) | monoclinic | 0.56 | 0.0958 | -6.037 | 6.58 |
| Amm2 (No. 38) | orthorhombic | 0.00 | 0.1136 | -5.936 | 6.40 |
| P1 (No. 1) | triclinic | 0.28 | 0.1435 | -5.989 | 7.10 |
| Amm2 (No. 38) | orthorhombic | 0.00 | 0.2013 | -5.848 | 6.42 |
| P1 (No. 1) | Triclinic | — | — | — | 7.10 |
| P1 (No. 1) | Triclinic | — | — | — | 7.58 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 7.14 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 6.94 |
| P1 (No. 1) | Triclinic | — | — | — | 7.34 |
| Pmn21 (No. 31) | — | — | — | — | — |
Uses
Applications
Where MgBi2O5 is used.
Materials science researchSolid-state chemistryElectronic component development
Reference
Frequently Asked Questions
Common questions about MgBi2O5, answered from cross-validated data.
What is MgBi2O5?
Magnesium bismuth oxide is a complex inorganic ceramic material composed of magnesium, bismuth, and oxygen. It is primarily studied for its structural properties and potential utility in advanced electronic or optical component development.
More questions
What is MgBi2O5 used for?
MgBi2O5 is used in materials science research, solid-state chemistry, and electronic component development.
What is the band gap of MgBi2O5?
MgBi2O5 has a DFT-computed band gap of 0.28–0.56 eV across 16 reported structures.
Is MgBi2O5 a metal, semiconductor, or insulator?
With a band gap up to 0.56 eV it is a semiconductor.
Is MgBi2O5 thermodynamically stable?
MgBi2O5 has a lowest energy above hull of 0.029 eV/atom (metastable).
What is the crystal structure of MgBi2O5?
The lowest-energy reported polymorph of MgBi2O5 is orthorhombic symmetry, space group Pbca (No. 61).
What is the density of MgBi2O5?
The computed density of the ground-state structure of MgBi2O5 is 7.58 g/cm³.
How many polymorphs of MgBi2O5 are known?
16 structures of MgBi2O5 are reported across 3 databases, spanning 6 distinct space groups.
What elements does MgBi2O5 contain?
MgBi2O5 contains Bi, Mg, and O (3 elements).
Where does the data for MgBi2O5 come from?
MgBi2O5 data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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