Ba2Ge3
Ba2Ge3 is a metastable metallic compound consisting of barium and germanium that is primarily studied for its complex structural properties.
About Ba2Ge3
Ba2Ge3 is a metallic intermetallic compound formed from barium and germanium. As a metastable phase, it represents a complex structural arrangement that highlights the intricate bonding behaviors possible between alkaline earth metals and group 14 elements.
Its metallic nature suggests significant delocalization of electrons, making it a subject of interest for researchers investigating electronic transport and structural phase stability. The compound is characterized by a diverse range of reported structural configurations across multiple databases, underscoring its role as a nuanced material in condensed matter science.
Key Properties
Cross-validated computational properties for Ba2Ge3, aggregated across 5 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Ba2Ge3. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Ba2Ge3, 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. |
|---|---|---|---|---|---|
| Imm2 (No. 44) | orthorhombic | 0.00 | 0.0990 | -4.001 | 4.94 |
| Imm2 (No. 44) | — | — | — | — | — |
| P-3m1 (No. 164) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.68 |
| Imm2 (No. 44) | Orthorhombic | — | — | — | 4.94 |
| Imm2 (No. 44) | Orthorhombic | — | — | — | 5.08 |
| Imm2 (No. 44) | Orthorhombic | — | — | — | 5.12 |
Applications
Where Ba2Ge3 is used.
Frequently Asked Questions
Common questions about Ba2Ge3, answered from cross-validated data.
What is Ba2Ge3?
Ba2Ge3 is a metastable metallic compound consisting of barium and germanium that is primarily studied for its complex structural properties.
What is Ba2Ge3 used for?
What is the band gap of Ba2Ge3?
Is Ba2Ge3 a metal, semiconductor, or insulator?
Is Ba2Ge3 thermodynamically stable?
What is the crystal structure of Ba2Ge3?
What is the density of Ba2Ge3?
How many polymorphs of Ba2Ge3 are known?
What elements does Ba2Ge3 contain?
Where does the data for Ba2Ge3 come from?
How It Compares
As a metastable metallic phase, Ba2Ge3 occupies a specialized niche in materials science where structural diversity is driven by the interplay between its constituent elements. Unlike more common, thermodynamically stable phases, its existence requires specific synthesis conditions, marking it as a distinct candidate for studies on phase competition and structural evolution.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- mpaloe — Data from mpaloe.
Analyze Ba2Ge3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →