SrH2
Strontium hydride · Strontium dihydride
Strontium hydride is a thermodynamically stable, insulating binary compound composed of strontium and hydrogen.
About Strontium hydride
Strontium hydride is a binary inorganic compound characterized by its insulating electronic nature and high thermodynamic stability. As a member of the alkaline earth metal hydride family, it sits firmly on the convex hull, indicating a robust structural configuration that resists decomposition under standard conditions. Its structural versatility is highlighted by the extensive number of reported phases documented across multiple crystallographic databases. This material is primarily investigated for its fundamental chemical properties and its utility as a reactive precursor in specialized synthetic pathways. Due to its stability and specific bonding characteristics, it remains a subject of interest for researchers exploring hydrogen storage mechanisms and solid-state chemistry.
Key Properties
Cross-validated computational properties for Strontium hydride, 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 SrH2. 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 SrH2, 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 | 3.37 | 0.0000 | -0.664 | — |
| — | — | 3.22 | 0.0000 | -0.540 | — |
| Pnma (No. 62) | orthorhombic | 3.14 | 0.0000 | -8.000 | 3.33 |
| — | — | 0.95 | 0.0218 | -0.518 | — |
| — | — | 0.95 | 0.0219 | -0.518 | — |
| — | — | 0.91 | 0.0226 | -0.518 | — |
| — | — | 0.96 | 0.0228 | -0.517 | — |
| Cmcm (No. 63) | orthorhombic | 1.28 | 0.0441 | -7.955 | 3.54 |
| — | — | 1.49 | 0.0446 | -0.496 | — |
| — | — | 1.49 | 0.0452 | -0.495 | — |
| P63/mmc (No. 194) | hexagonal | 1.26 | 0.0459 | -7.954 | 3.56 |
| P63/mmc (No. 194) | hexagonal | 1.68 | 0.0466 | -0.617 | — |
Applications
Where Strontium hydride is used.
Frequently Asked Questions
Common questions about Strontium hydride, answered from cross-validated data.
What is SrH2?
Strontium hydride is a thermodynamically stable, insulating binary compound composed of strontium and hydrogen.
What is SrH2 used for?
What is the band gap of SrH2?
Is SrH2 a metal, semiconductor, or insulator?
Is SrH2 thermodynamically stable?
What is the crystal structure of SrH2?
How many polymorphs of SrH2 are known?
What elements does SrH2 contain?
Where does the data for SrH2 come from?
How It Compares
As a stable alkaline earth hydride, strontium hydride serves as a key reference point for understanding the periodic trends in metal-hydrogen bonding. It exhibits a well-defined structural profile that distinguishes it from more reactive or less stable hydride counterparts, positioning it as a reliable, predictable material for experimental studies in inorganic synthesis.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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