BaGeO3
barium germanate
Barium germanate is a stable, wide-band-gap insulating material composed of barium, germanium, and oxygen.
About barium germanate
Barium germanate is a stable inorganic compound composed of barium, germanium, and oxygen. As a wide-band-gap insulator, it exhibits robust electronic characteristics that make it a subject of significant interest for fundamental materials research.
Its thermodynamic stability on the convex hull underscores its structural integrity, which is supported by a diverse array of reported experimental and computational crystal structures. This stability facilitates its potential integration into specialized electronic and optical device architectures.
Key Properties
Cross-validated computational properties for barium germanate, 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 BaGeO3, 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. |
|---|---|---|---|---|---|
| P212121 (No. 19) | orthorhombic | 3.55 | 0.0000 | -6.973 | 4.96 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.2324 | -6.741 | 6.79 |
| P1 (No. 1) | triclinic | 2.23 | 0.3262 | -6.647 | 4.43 |
| P1 (No. 1) | triclinic | 1.43 | 0.4512 | -6.522 | 4.52 |
| P212121 (No. 19) | Orthorhombic | — | — | — | 4.80 |
| P212121 (No. 19) | Orthorhombic | — | — | — | 5.10 |
| P212121 (No. 19) | Orthorhombic | — | — | — | 4.94 |
| P212121 (No. 19) | — | — | — | — | — |
| Pm-3m (No. 221) | — | — | — | — | — |
Applications
Where barium germanate is used.
Frequently Asked Questions
Common questions about barium germanate, answered from cross-validated data.
What is BaGeO3?
Barium germanate is a stable, wide-band-gap insulating material composed of barium, germanium, and oxygen.
What is BaGeO3 used for?
What is the band gap of BaGeO3?
Is BaGeO3 a metal, semiconductor, or insulator?
Is BaGeO3 thermodynamically stable?
What is the crystal structure of BaGeO3?
What is the density of BaGeO3?
How many polymorphs of BaGeO3 are known?
What elements does BaGeO3 contain?
Where does the data for BaGeO3 come from?
How It Compares
As a distinct member of the germanate family, barium germanate serves as a foundational example of alkaline-earth metal germanates. It represents a stable, insulating archetype within this class of materials, providing a benchmark for understanding the structural and electronic behavior of complex ternary oxides.
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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