B4Li4S12Sr4
This complex inorganic compound is a lithium strontium thioborate material. It is primarily researched for its potential role as a solid-state electrolyte component in advanced battery technologies.
BLiSSr
Overview
Key Properties
Cross-validated computational properties for B4Li4S12Sr4, 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.
2.56 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.
0.001 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.
3
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for B4Li4S12Sr4, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 2.56 | 0.0008 | -5.288 | 2.70 |
| — | — | — | — | — | 2.28 |
| Pnma (No. 62) | — | — | — | — | — |
Uses
Applications
Where B4Li4S12Sr4 is used.
Solid-state battery researchIonic conductor developmentMaterials science research
Reference
Frequently Asked Questions
Common questions about B4Li4S12Sr4, answered from cross-validated data.
What is B4Li4S12Sr4?
This complex inorganic compound is a lithium strontium thioborate material. It is primarily researched for its potential role as a solid-state electrolyte component in advanced battery technologies.
More questions
What is B4Li4S12Sr4 used for?
B4Li4S12Sr4 is used in solid-state battery research, ionic conductor development, and materials science research.
What is the band gap of B4Li4S12Sr4?
B4Li4S12Sr4 has a DFT-computed band gap of 2.56 eV across 3 reported structures.
Is B4Li4S12Sr4 a metal, semiconductor, or insulator?
With a band gap up to 2.56 eV it is a semiconductor.
Is B4Li4S12Sr4 thermodynamically stable?
Yes — B4Li4S12Sr4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of B4Li4S12Sr4?
The lowest-energy reported polymorph of B4Li4S12Sr4 is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of B4Li4S12Sr4?
The computed density of the ground-state structure of B4Li4S12Sr4 is 2.70 g/cm³.
How many polymorphs of B4Li4S12Sr4 are known?
3 structures of B4Li4S12Sr4 are reported across 3 databases, spanning 1 distinct space group.
What elements does B4Li4S12Sr4 contain?
B4Li4S12Sr4 contains B, Li, S, and Sr (4 elements).
Where does the data for B4Li4S12Sr4 come from?
B4Li4S12Sr4 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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