Ba8Li4Si12
Ba8Li4Si12 is a stable, semimetallic ternary compound consisting of barium, lithium, and silicon.
About Ba8Li4Si12
Ba8Li4Si12 is a complex ternary compound composed of barium, lithium, and silicon. It occupies a position on the convex hull, indicating that it is a thermodynamically stable phase that maintains structural integrity under standard conditions.
As a near-zero-gap material, it exhibits semimetallic electronic character. This unique electronic profile makes it an intriguing subject for research into specialized conductive materials and solid-state chemistry applications.
Key Properties
Cross-validated computational properties for Ba8Li4Si12, 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 Ba8Li4Si12, 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. |
|---|---|---|---|---|---|
| Fddd (No. 70) | orthorhombic | 0.09 | 0.0000 | -4.065 | 3.73 |
| Fddd (No. 70) | — | — | — | — | — |
| — | — | — | — | — | 2.76 |
Applications
Where Ba8Li4Si12 is used.
Frequently Asked Questions
Common questions about Ba8Li4Si12, answered from cross-validated data.
What is Ba8Li4Si12?
Ba8Li4Si12 is a stable, semimetallic ternary compound consisting of barium, lithium, and silicon.
What is Ba8Li4Si12 used for?
What is the band gap of Ba8Li4Si12?
Is Ba8Li4Si12 a metal, semiconductor, or insulator?
Is Ba8Li4Si12 thermodynamically stable?
What is the crystal structure of Ba8Li4Si12?
What is the density of Ba8Li4Si12?
How many polymorphs of Ba8Li4Si12 are known?
What elements does Ba8Li4Si12 contain?
Where does the data for Ba8Li4Si12 come from?
How It Compares
As a distinct ternary phase, Ba8Li4Si12 represents a specific structural arrangement within the barium-lithium-silicon system. While it remains a specialized subject of study, its thermodynamic stability distinguishes it as a robust candidate for further investigation into the electronic properties of complex intermetallic compounds.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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