Sr4LiMn2Cu3(SO)4
Sr4LiMn2Cu3(SO)4 has a DFT band gap of Metallic / not reported across 21 reported structures in 3 space groups; its lowest-energy polymorph is Monoclinic (C2 (No. 5)). Cross-validated across 1 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Sr4LiMn2Cu3(SO)4, aggregated across 1 database.
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.
Metallic / not reported
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.
—
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.
Not assessed
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
21
1 database, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Sr4LiMn2Cu3(SO)4, 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. |
|---|---|---|---|---|---|
| C2 (No. 5) | Monoclinic | — | — | — | 4.77 |
| P1 (No. 1) | Triclinic | — | — | — | 4.80 |
| P1 (No. 1) | Triclinic | — | — | — | 4.84 |
| P1 (No. 1) | Triclinic | — | — | — | 4.67 |
| C222 (No. 21) | Orthorhombic | — | — | — | 4.85 |
| C222 (No. 21) | Orthorhombic | — | — | — | 4.90 |
| C222 (No. 21) | Orthorhombic | — | — | — | 4.70 |
| P1 (No. 1) | Triclinic | — | — | — | 4.72 |
| P1 (No. 1) | Triclinic | — | — | — | 4.76 |
| P1 (No. 1) | Triclinic | — | — | — | 4.59 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.73 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.57 |
Reference
Frequently Asked Questions
Common questions about Sr4LiMn2Cu3(SO)4, answered from cross-validated data.
What is the band gap of Sr4LiMn2Cu3(SO)4?
Sr4LiMn2Cu3(SO)4 is computed to be metallic (no band gap) in the reported DFT structures.
More questions
Is Sr4LiMn2Cu3(SO)4 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
What is the crystal structure of Sr4LiMn2Cu3(SO)4?
The lowest-energy reported polymorph of Sr4LiMn2Cu3(SO)4 is Monoclinic symmetry, space group C2 (No. 5).
What is the density of Sr4LiMn2Cu3(SO)4?
The computed density of the ground-state structure of Sr4LiMn2Cu3(SO)4 is 4.77 g/cm³.
How many polymorphs of Sr4LiMn2Cu3(SO)4 are known?
21 structures of Sr4LiMn2Cu3(SO)4 are reported across 1 database, spanning 3 distinct space groups.
What elements does Sr4LiMn2Cu3(SO)4 contain?
Sr4LiMn2Cu3(SO)4 contains Cu, Li, Mn, O, S, and Sr (6 elements).
Where does the data for Sr4LiMn2Cu3(SO)4 come from?
Sr4LiMn2Cu3(SO)4 data is cross-referenced from mpaloe.
Explore
Related Compounds
Other Polyanion Sulfate Cathodes in the database.
Data sources & attribution
- mpaloe — Data from mpaloe.
Analyze Sr4LiMn2Cu3(SO)4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →