SrCa3O4
This compound is a mixed-metal oxide containing strontium and calcium. It is primarily studied for its structural properties in materials science research and as a precursor in the synthesis of specialized ceramic materials.
CaOSr
Overview
Key Properties
Cross-validated computational properties for SrCa3O4, 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.
3.37 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.
0.040 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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for SrCa3O4, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 3.37 | 0.0402 | -6.646 | 3.73 |
| Pm-3m (No. 221) | — | — | — | — | — |
| Pm-3m (No. 221) | Cubic | — | — | — | 3.81 |
| Pm-3m (No. 221) | Cubic | — | — | — | 3.73 |
| Pm-3m (No. 221) | Cubic | — | — | — | 3.84 |
Uses
Applications
Where SrCa3O4 is used.
Materials science researchCeramic synthesisSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about SrCa3O4, answered from cross-validated data.
What is SrCa3O4?
This compound is a mixed-metal oxide containing strontium and calcium. It is primarily studied for its structural properties in materials science research and as a precursor in the synthesis of specialized ceramic materials.
What is SrCa3O4 used for?
SrCa3O4 is used in materials science research, ceramic synthesis, and solid-state chemistry studies.
What is the band gap of SrCa3O4?
SrCa3O4 has a DFT-computed band gap of 3.37 eV across 5 reported structures.
Is SrCa3O4 a metal, semiconductor, or insulator?
With a wide band gap up to 3.37 eV it is an insulator / wide-band-gap material.
Is SrCa3O4 thermodynamically stable?
SrCa3O4 has a lowest energy above hull of 0.040 eV/atom (metastable).
What is the crystal structure of SrCa3O4?
The lowest-energy reported polymorph of SrCa3O4 is cubic symmetry, space group Pm-3m (No. 221).
What is the density of SrCa3O4?
The computed density of the ground-state structure of SrCa3O4 is 3.73 g/cm³.
How many polymorphs of SrCa3O4 are known?
5 structures of SrCa3O4 are reported across 3 databases, spanning 1 distinct space group.
What elements does SrCa3O4 contain?
SrCa3O4 contains Ca, O, and Sr (3 elements).
Where does the data for SrCa3O4 come from?
SrCa3O4 data is cross-referenced from materials_project, jarvis, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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