Sr4RuN4
This compound is a complex nitride containing strontium and ruthenium. It is primarily studied by researchers investigating the structural and electronic properties of transition metal nitrides.
NRuSr
Overview
Key Properties
Cross-validated computational properties for Sr4RuN4, 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.
0.03 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.
0.112 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.
Above hull
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
6
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Sr4RuN4, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 0.00 | 0.1123 | -14.212 | 5.09 |
| Pnma (No. 62) | orthorhombic | 0.03 | 0.1644 | -14.160 | 4.69 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.09 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.24 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.17 |
| P-1 (No. 2) | — | — | — | — | — |
Uses
Applications
Where Sr4RuN4 is used.
Materials science researchSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about Sr4RuN4, answered from cross-validated data.
What is Sr4RuN4?
This compound is a complex nitride containing strontium and ruthenium. It is primarily studied by researchers investigating the structural and electronic properties of transition metal nitrides.
More questions
What is Sr4RuN4 used for?
Sr4RuN4 is used in materials science research and solid-state chemistry studies.
What is the band gap of Sr4RuN4?
Sr4RuN4 has a DFT-computed band gap of 0.03 eV across 6 reported structures.
Is Sr4RuN4 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Sr4RuN4 thermodynamically stable?
Sr4RuN4 has a lowest energy above hull of 0.112 eV/atom (above hull).
What is the crystal structure of Sr4RuN4?
The lowest-energy reported polymorph of Sr4RuN4 is triclinic symmetry, space group P-1 (No. 2).
What is the density of Sr4RuN4?
The computed density of the ground-state structure of Sr4RuN4 is 5.09 g/cm³.
How many polymorphs of Sr4RuN4 are known?
6 structures of Sr4RuN4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Sr4RuN4 contain?
Sr4RuN4 contains N, Ru, and Sr (3 elements).
Where does the data for Sr4RuN4 come from?
Sr4RuN4 data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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