Ca2F12Ga2Li2
Ca2F12Ga2Li2 is a stable, wide-band-gap insulating compound composed of calcium, fluorine, gallium, and lithium.
About Ca2F12Ga2Li2
Ca2F12Ga2Li2 is a complex inorganic compound characterized by its wide-band-gap insulating electronic profile. Its position on the convex hull confirms its status as a thermodynamically stable material, suggesting robust structural integrity under standard conditions.
This material is of interest for research into advanced dielectric or optical applications where stable, non-conductive inorganic matrices are required. Its unique combination of calcium, fluorine, gallium, and lithium positions it as a specialized candidate for further experimental investigation.
Key Properties
Cross-validated computational properties for Ca2F12Ga2Li2, 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 Ca2F12Ga2Li2, 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. |
|---|---|---|---|---|---|
| P-31c (No. 163) | trigonal | 6.40 | 0.0000 | -5.510 | 3.35 |
| — | — | — | — | — | 2.62 |
| P-31c (No. 163) | — | — | — | — | — |
Applications
Where Ca2F12Ga2Li2 is used.
Frequently Asked Questions
Common questions about Ca2F12Ga2Li2, answered from cross-validated data.
What is Ca2F12Ga2Li2?
Ca2F12Ga2Li2 is a stable, wide-band-gap insulating compound composed of calcium, fluorine, gallium, and lithium.
What is Ca2F12Ga2Li2 used for?
What is the band gap of Ca2F12Ga2Li2?
Is Ca2F12Ga2Li2 a metal, semiconductor, or insulator?
Is Ca2F12Ga2Li2 thermodynamically stable?
What is the crystal structure of Ca2F12Ga2Li2?
What is the density of Ca2F12Ga2Li2?
How many polymorphs of Ca2F12Ga2Li2 are known?
What elements does Ca2F12Ga2Li2 contain?
Where does the data for Ca2F12Ga2Li2 come from?
How It Compares
As a thermodynamically stable, wide-band-gap insulator, this compound represents a distinct structural arrangement within its chemical space, serving as a foundational example of multi-element fluoride-based materials.
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).
Analyze Ca2F12Ga2Li2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →