Ga6Li6N12Sr6
Ga6Li6N12Sr6 is a thermodynamically stable, semiconducting quaternary nitride compound.
About Ga6Li6N12Sr6
Ga6Li6N12Sr6 is a complex quaternary nitride that sits on the convex hull, indicating exceptional thermodynamic stability. As a semiconducting material, it offers a distinct electronic profile that distinguishes it from simpler binary or ternary nitrides, making it a subject of interest for structural and electronic research.
Given its status as a stable, data-rich compound with multiple reported structural variations, this material serves as a foundational building block for exploring new nitride-based architectures. Its composition of gallium, lithium, nitrogen, and strontium suggests a versatile framework for future semiconductor applications.
Key Properties
Cross-validated computational properties for Ga6Li6N12Sr6, 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 Ga6Li6N12Sr6, 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 | 2.22 | 0.0000 | -5.389 | 4.78 |
| — | — | — | — | — | 4.78 |
| — | — | — | — | — | 4.78 |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where Ga6Li6N12Sr6 is used.
Frequently Asked Questions
Common questions about Ga6Li6N12Sr6, answered from cross-validated data.
What is Ga6Li6N12Sr6?
Ga6Li6N12Sr6 is a thermodynamically stable, semiconducting quaternary nitride compound.
What is Ga6Li6N12Sr6 used for?
What is the band gap of Ga6Li6N12Sr6?
Is Ga6Li6N12Sr6 a metal, semiconductor, or insulator?
Is Ga6Li6N12Sr6 thermodynamically stable?
What is the crystal structure of Ga6Li6N12Sr6?
What is the density of Ga6Li6N12Sr6?
How many polymorphs of Ga6Li6N12Sr6 are known?
What elements does Ga6Li6N12Sr6 contain?
Where does the data for Ga6Li6N12Sr6 come from?
How It Compares
As a unique quaternary nitride, this compound represents a specialized niche in materials science, offering a complex structural arrangement that is not found in simpler, more common nitride systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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