SrH2

Strontium hydride · Strontium dihydride

Strontium hydride is a thermodynamically stable, insulating binary compound composed of strontium and hydrogen.

HSr
Crystal structure of SrH2 (orthorhombic, Pnma (No. 62))
Ground-state structure · Materials Project
Overview

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.

At a glance

Key Properties

Cross-validated computational properties for Strontium hydride, aggregated across 4 databases.

Band Gap

1.28–3.15 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

46
4 databases, 9 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for SrH2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Pnma (No. 62)orthorhombic3.150.0000-8.0003.33
Cmcm (No. 63)orthorhombic1.280.0441-7.9553.54
P63/mmc (No. 194)hexagonal1.300.0459-7.9543.56
Cmcm (No. 63)Orthorhombic3.54
P-1 (No. 2)Triclinic2.37
P-1 (No. 2)Triclinic1.50
P-1 (No. 2)Triclinic2.84
C2/m (No. 12)Monoclinic1.51
C2/m (No. 12)Monoclinic3.43
P-1 (No. 2)Triclinic1.51
P-1 (No. 2)Triclinic1.78
P1 (No. 1)Triclinic1.71
Uses

Applications

Where Strontium hydride is used.

Chemical synthesis precursorSolid-state chemistry researchHydrogen storage material studies
Reference

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.

More questions
What is SrH2 used for?
Strontium hydride (SrH2) is used in chemical synthesis precursor, solid-state chemistry research, and hydrogen storage material studies.
What is the band gap of SrH2?
Strontium hydride (SrH2) has a DFT-computed band gap of 1.28–3.15 eV across 46 reported structures.
Is SrH2 a metal, semiconductor, or insulator?
With a wide band gap up to 3.15 eV it is an insulator / wide-band-gap material.
Is SrH2 thermodynamically stable?
Yes — Strontium hydride (SrH2) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of SrH2?
The lowest-energy reported polymorph of Strontium hydride (SrH2) is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of SrH2?
The computed density of the ground-state structure of Strontium hydride (SrH2) is 3.33 g/cm³.
How many polymorphs of SrH2 are known?
46 structures of SrH2 are reported across 4 databases, spanning 9 distinct space groups.
What elements does SrH2 contain?
Strontium hydride (SrH2) contains H and Sr (2 elements).
Where does the data for SrH2 come from?
SrH2 data is cross-referenced from materials_project, mpaloe, cod.
Comparison

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
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.
  • cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).

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