SrO4

SrO4 is a semiconducting strontium oxide phase that exhibits structural complexity and is generally considered to be thermodynamically unstable.

OSr
Crystal structure of SrO4 (tetragonal, P4/mmm (No. 123))
Ground-state structure · Materials Project
Overview

About SrO4

SrO4 is a strontium-oxygen compound characterized by its semiconducting electronic nature. As a complex oxide phase, it represents a specific arrangement of strontium and oxygen atoms that has been documented across various structural configurations in materials databases.

Due to its position above the thermodynamic hull, this compound is considered metastable or unstable under standard conditions. Its existence is primarily of interest in fundamental materials research, where understanding the formation and structural diversity of high-oxygen strontium phases remains a key objective.

At a glance

Key Properties

Cross-validated computational properties for SrO4, aggregated across 2 databases.

Band Gap

0.30 eV
Range across DFT structures

Energy Above Hull

0.883 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

16
2 databases, 7 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for SrO4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P4/mmm (No. 123)tetragonal0.300.8832-4.7360.24
C2/m (No. 12)Monoclinic3.87
C2/m (No. 12)Monoclinic3.97
C2/m (No. 12)Monoclinic4.01
C2/m (No. 12)Monoclinic3.65
P-43m (No. 215)Cubic1.76
C2 (No. 5)Monoclinic3.21
C2 (No. 5)Monoclinic3.47
P-1 (No. 2)Triclinic1.68
P-43m (No. 215)Cubic1.80
Cm (No. 8)Monoclinic1.94
P1 (No. 1)Triclinic3.89
Reference

Frequently Asked Questions

Common questions about SrO4, answered from cross-validated data.

What is SrO4?

SrO4 is a semiconducting strontium oxide phase that exhibits structural complexity and is generally considered to be thermodynamically unstable.

More questions
What is the band gap of SrO4?
SrO4 has a DFT-computed band gap of 0.30 eV across 16 reported structures.
Is SrO4 a metal, semiconductor, or insulator?
With a band gap up to 0.30 eV it is a semiconductor.
Is SrO4 thermodynamically stable?
SrO4 has a lowest energy above hull of 0.883 eV/atom (above hull).
What is the crystal structure of SrO4?
The lowest-energy reported polymorph of SrO4 is tetragonal symmetry, space group P4/mmm (No. 123).
What is the density of SrO4?
The computed density of the ground-state structure of SrO4 is 0.24 g/cm³.
How many polymorphs of SrO4 are known?
16 structures of SrO4 are reported across 2 databases, spanning 7 distinct space groups.
What elements does SrO4 contain?
SrO4 contains O and Sr (2 elements).
Where does the data for SrO4 come from?
SrO4 data is cross-referenced from materials_project, mpaloe.
Comparison

How It Compares

As a unique strontium-oxygen stoichiometry, this compound serves as a distinct point of study within the broader landscape of alkaline earth oxides, representing a specialized phase that differs significantly from the more common and highly stable binary oxides found in the same elemental family.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.

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