F12Ge2Li4
This compound is a lithium-based fluoride material containing germanium. It is primarily investigated for its potential utility as a solid-state electrolyte component in advanced battery research.
FGeLi
Overview
Key Properties
Cross-validated computational properties for F12Ge2Li4, 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.
5.74–6.05 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
4
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for F12Ge2Li4, 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. |
|---|---|---|---|---|---|
| P42/mnm (No. 136) | tetragonal | 5.74 | 0.0000 | -5.230 | 3.71 |
| P321 (No. 150) | trigonal | 6.05 | 0.0053 | -5.225 | 3.66 |
| — | — | — | — | — | 3.42 |
| P42/mnm (No. 136) | — | — | — | — | — |
Uses
Applications
Where F12Ge2Li4 is used.
Battery researchSolid-state electrolyte development
Reference
Frequently Asked Questions
Common questions about F12Ge2Li4, answered from cross-validated data.
What is F12Ge2Li4?
This compound is a lithium-based fluoride material containing germanium. It is primarily investigated for its potential utility as a solid-state electrolyte component in advanced battery research.
More questions
What is F12Ge2Li4 used for?
F12Ge2Li4 is used in battery research and solid-state electrolyte development.
What is the band gap of F12Ge2Li4?
F12Ge2Li4 has a DFT-computed band gap of 5.74–6.05 eV across 4 reported structures.
Is F12Ge2Li4 a metal, semiconductor, or insulator?
With a wide band gap up to 6.05 eV it is an insulator / wide-band-gap material.
Is F12Ge2Li4 thermodynamically stable?
Yes — F12Ge2Li4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of F12Ge2Li4?
The lowest-energy reported polymorph of F12Ge2Li4 is tetragonal symmetry, space group P42/mnm (No. 136).
What is the density of F12Ge2Li4?
The computed density of the ground-state structure of F12Ge2Li4 is 3.71 g/cm³.
How many polymorphs of F12Ge2Li4 are known?
4 structures of F12Ge2Li4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does F12Ge2Li4 contain?
F12Ge2Li4 contains F, Ge, and Li (3 elements).
Where does the data for F12Ge2Li4 come from?
F12Ge2Li4 data is cross-referenced from materials_project, omat24, aflow.
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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