Li2Cr3SnO8
This complex oxide is a crystalline material composed of lithium, chromium, tin, and oxygen. It is primarily studied in the context of advanced materials research for its potential electrochemical properties and structural characteristics in solid-state systems.
CrLiOSn
Overview
Key Properties
Cross-validated computational properties for Li2Cr3SnO8, 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.
0.20–0.96 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.
0.013 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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
23
3 databases, 7 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Li2Cr3SnO8, 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. |
|---|---|---|---|---|---|
| P43212 (No. 96) | tetragonal | 0.95 | 0.0125 | -7.723 | 4.44 |
| P63mc (No. 186) | hexagonal | 0.00 | 0.0148 | -7.721 | 4.65 |
| C2/m (No. 12) | monoclinic | 0.79 | 0.0197 | -7.716 | 4.43 |
| C2/c (No. 15) | monoclinic | 0.96 | 0.0208 | -7.715 | 4.42 |
| P213 (No. 198) | cubic | 0.20 | 0.0309 | -7.705 | 4.51 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0314 | -7.704 | 4.39 |
| R3m (No. 160) | trigonal | 0.00 | 0.0736 | -7.662 | 4.55 |
| R3m (No. 160) | — | — | — | — | — |
| R3m (No. 160) | Trigonal | — | — | — | 4.55 |
| R-3m (No. 166) | — | — | — | — | — |
| P63mc (No. 186) | — | — | — | — | — |
| P63mc (No. 186) | Hexagonal | — | — | — | 5.08 |
Uses
Applications
Where Li2Cr3SnO8 is used.
Materials science researchSolid-state battery electrode investigationCrystallographic studies
Reference
Frequently Asked Questions
Common questions about Li2Cr3SnO8, answered from cross-validated data.
What is Li2Cr3SnO8?
This complex oxide is a crystalline material composed of lithium, chromium, tin, and oxygen. It is primarily studied in the context of advanced materials research for its potential electrochemical properties and structural characteristics in solid-state systems.
More questions
What is Li2Cr3SnO8 used for?
Li2Cr3SnO8 is used in materials science research, solid-state battery electrode investigation, and crystallographic studies.
What is the band gap of Li2Cr3SnO8?
Li2Cr3SnO8 has a DFT-computed band gap of 0.20–0.96 eV across 23 reported structures.
Is Li2Cr3SnO8 a metal, semiconductor, or insulator?
With a band gap up to 0.96 eV it is a semiconductor.
Is Li2Cr3SnO8 thermodynamically stable?
Li2Cr3SnO8 has a lowest energy above hull of 0.013 eV/atom (near hull (likely stable)).
What is the crystal structure of Li2Cr3SnO8?
The lowest-energy reported polymorph of Li2Cr3SnO8 is tetragonal symmetry, space group P43212 (No. 96).
What is the density of Li2Cr3SnO8?
The computed density of the ground-state structure of Li2Cr3SnO8 is 4.44 g/cm³.
How many polymorphs of Li2Cr3SnO8 are known?
23 structures of Li2Cr3SnO8 are reported across 3 databases, spanning 7 distinct space groups.
What elements does Li2Cr3SnO8 contain?
Li2Cr3SnO8 contains Cr, Li, O, and Sn (4 elements).
Where does the data for Li2Cr3SnO8 come from?
Li2Cr3SnO8 data is cross-referenced from materials_project, jarvis, mpaloe.
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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