SrNd2O4
SrNd2O4 is a metastable, wide-band-gap insulating oxide composed of strontium, neodymium, and oxygen.
About SrNd2O4
SrNd2O4 is a complex oxide compound characterized by its insulating electronic nature and wide band gap. As a metastable material, it represents a unique phase in the landscape of strontium-neodymium oxides, offering researchers a distinct structural configuration for study.
Its existence is supported by multiple reported structures across various databases, highlighting its significance in solid-state chemistry. The compound serves as a subject of interest for understanding phase stability and the interplay between strontium and rare-earth elements in oxide lattices.
Key Properties
Cross-validated computational properties for SrNd2O4, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of SrNd2O4. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for SrNd2O4, 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. |
|---|---|---|---|---|---|
| — | — | 3.93 | 0.0303 | -3.397 | — |
| — | — | 3.77 | 0.0323 | -3.395 | — |
| Fd-3m (No. 227) | cubic | 3.60 | 0.0325 | -7.979 | 5.53 |
| Pnma (No. 62) | orthorhombic | 3.42 | 0.0396 | -7.972 | 6.33 |
| — | — | 3.49 | 0.0425 | -3.385 | — |
| Fd-3m (No. 227) | cubic | 3.75 | 0.0542 | -3.370 | — |
| Pnma (No. 62) | orthorhombic | — | — | — | 6.33 |
| Fd-3m (No. 227) | cubic | — | — | — | 5.75 |
| Pnma (No. 62) | orthorhombic | — | — | — | 6.78 |
| Fd-3m (No. 227) | cubic | — | — | — | 5.53 |
| Fd-3m (No. 227) | cubic | — | — | — | 5.94 |
| Pnma (No. 62) | orthorhombic | — | — | — | 6.57 |
Applications
Where SrNd2O4 is used.
Frequently Asked Questions
Common questions about SrNd2O4, answered from cross-validated data.
What is SrNd2O4?
SrNd2O4 is a metastable, wide-band-gap insulating oxide composed of strontium, neodymium, and oxygen.
What is SrNd2O4 used for?
What is the band gap of SrNd2O4?
Is SrNd2O4 a metal, semiconductor, or insulator?
Is SrNd2O4 thermodynamically stable?
What is the crystal structure of SrNd2O4?
What is the density of SrNd2O4?
How many polymorphs of SrNd2O4 are known?
What elements does SrNd2O4 contain?
Where does the data for SrNd2O4 come from?
How It Compares
As a specialized oxide phase, SrNd2O4 occupies a niche position in materials science where its metastable nature distinguishes it from more common, highly stable ceramic oxides. It serves as an important reference point for exploring the structural diversity of ternary oxides that do not fall into standard, highly symmetric classifications.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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