SrCO3
Strontianite · Strontium carbonate
Strontianite is a stable, insulating strontium carbonate mineral widely used in industrial glass production and pyrotechnics.
About Strontianite
Strontianite is a naturally occurring strontium carbonate that serves as the primary industrial source for strontium compounds. It is characterized as a wide-gap insulator, exhibiting high thermodynamic stability that makes it a robust candidate for various chemical synthesis pathways.
Due to its chemical properties, this compound is widely utilized in the production of specialized glass, ceramic glazes, and pyrotechnic compositions. Its ability to remain stable under diverse conditions ensures its reliability in industrial applications requiring consistent chemical performance.
Key Properties
Cross-validated computational properties for Strontianite, 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 SrCO3. 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 SrCO3, 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. |
|---|---|---|---|---|---|
| R32 (No. 155) | trigonal | 4.60 | 0.0000 | -2.379 | — |
| — | — | 4.50 | 0.0000 | -2.531 | — |
| Pnma (No. 62) | orthorhombic | 4.44 | 0.0000 | -7.852 | 3.79 |
| R-3c (No. 167) | trigonal | 4.67 | 0.0232 | -7.829 | 3.30 |
| — | — | 4.75 | 0.0315 | -2.500 | — |
| — | — | 5.09 | 0.0316 | -2.500 | — |
| R32 (No. 155) | trigonal | 4.53 | 0.0317 | -7.821 | 3.29 |
| C2/m (No. 12) | monoclinic | 4.28 | 0.0362 | -7.816 | 3.48 |
| — | — | 0.00 | 0.0707 | -2.460 | — |
| — | — | 4.11 | 0.1179 | -2.413 | — |
| — | — | 0.00 | 0.1200 | -2.411 | — |
| — | — | 5.64 | 0.3495 | -2.182 | — |
Applications
Where Strontianite is used.
Frequently Asked Questions
Common questions about Strontianite, answered from cross-validated data.
What is SrCO3?
Strontianite is a stable, insulating strontium carbonate mineral widely used in industrial glass production and pyrotechnics.
What is SrCO3 used for?
What is the band gap of SrCO3?
Is SrCO3 a metal, semiconductor, or insulator?
Is SrCO3 thermodynamically stable?
What is the crystal structure of SrCO3?
What is the density of SrCO3?
How many polymorphs of SrCO3 are known?
What elements does SrCO3 contain?
Where does the data for SrCO3 come from?
How It Compares
As a naturally occurring carbonate, this compound represents a fundamental building block in strontium chemistry, serving as the benchmark for stability and reactivity within its chemical family.
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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