Sr2LiO12
Sr2LiO12 is a complex, metastable lithium-strontium oxide with semimetallic electronic properties.
About Sr2LiO12
Sr2LiO12 is a complex lithium oxide characterized by a semimetallic electronic structure. Its composition, involving strontium, lithium, and oxygen, places it in a unique subset of oxide materials where electronic behavior deviates from the typical insulating nature of many binary lithium oxides. The compound is currently identified as being above the thermodynamic stability hull, suggesting it is a metastable phase. Despite its challenging stability profile, it remains a subject of interest in structural research, with multiple reported configurations documented across materials databases.
Key Properties
Cross-validated computational properties for Sr2LiO12, 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 Sr2LiO12, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 0.02 | 0.1093 | -5.340 | 2.87 |
| P-1 (No. 2) | triclinic | 0.00 | 0.1307 | -5.319 | 2.88 |
| P1 (No. 1) | triclinic | 0.04 | 0.1315 | -5.318 | 3.05 |
| P1 (No. 1) | triclinic | 0.00 | 0.1837 | -5.266 | 2.72 |
| P1 (No. 1) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 2.72 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.90 |
| P1 (No. 1) | Triclinic | — | — | — | 3.14 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.88 |
| P1 (No. 1) | Triclinic | — | — | — | 3.05 |
| P1 (No. 1) | Triclinic | — | — | — | 3.07 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.96 |
Frequently Asked Questions
Common questions about Sr2LiO12, answered from cross-validated data.
What is Sr2LiO12?
Sr2LiO12 is a complex, metastable lithium-strontium oxide with semimetallic electronic properties.
What is the band gap of Sr2LiO12?
Is Sr2LiO12 a metal, semiconductor, or insulator?
Is Sr2LiO12 thermodynamically stable?
What is the crystal structure of Sr2LiO12?
What is the density of Sr2LiO12?
How many polymorphs of Sr2LiO12 are known?
What elements does Sr2LiO12 contain?
Where does the data for Sr2LiO12 come from?
How It Compares
Within the lithium oxides class.
Unlike standard battery cathode materials such as LiCoO2 or LiNiO2 which are optimized for electrochemical stability and ion mobility, Sr2LiO12 exhibits a semimetallic character that distinguishes it from the insulating or semiconducting behavior seen in Li2O or Li4SiO4. Its structural complexity and metastability contrast with the highly stable, well-characterized frameworks of the common lithium manganese and titanium oxides.
Related Compounds
Other Lithium Oxides in the database.
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).
- mpaloe — Data from mpaloe.
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