CO2Sr
strontium carbonate · strontianite
Strontium carbonate is an insulating inorganic compound used primarily as a chemical precursor and material additive.
About strontium carbonate
Strontium carbonate is an inorganic compound that functions as a wide-band-gap insulator. Its electronic structure is characterized by significant energy barriers to electron flow, typical of stable dielectric materials. The compound is frequently studied for its role in solid-state chemistry and its potential for specialized material synthesis.
While it exists in multiple structural forms, it is often evaluated for its thermodynamic state relative to other carbonate phases. Its utility is largely defined by its chemical composition, which allows it to serve as a precursor in various high-temperature processes and material science applications.
Key Properties
Cross-validated computational properties for strontium carbonate, 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 CO2Sr. 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 CO2Sr, 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. |
|---|---|---|---|---|---|
| P212121 (No. 19) | orthorhombic | 3.08 | 0.1591 | -7.854 | 3.85 |
| P21/c (No. 14) | monoclinic | 0.46 | 0.2179 | -7.835 | 3.89 |
| P212121 (No. 19) | orthorhombic | 2.41 | 0.5417 | -7.472 | 3.16 |
| P212121 (No. 19) | orthorhombic | 0.00 | 0.5495 | -7.464 | 3.39 |
| No. 0 | unknown | — | — | — | 0.85 |
| No. 0 | unknown | — | — | — | 0.84 |
| — | — | — | — | — | 4.39 |
Applications
Where strontium carbonate is used.
Frequently Asked Questions
Common questions about strontium carbonate, answered from cross-validated data.
What is CO2Sr?
Strontium carbonate is an insulating inorganic compound used primarily as a chemical precursor and material additive.
What is CO2Sr used for?
What is the band gap of CO2Sr?
Is CO2Sr a metal, semiconductor, or insulator?
Is CO2Sr thermodynamically stable?
What is the crystal structure of CO2Sr?
What is the density of CO2Sr?
How many polymorphs of CO2Sr are known?
What elements does CO2Sr contain?
Where does the data for CO2Sr come from?
How It Compares
As a standalone carbonate compound, strontium carbonate serves as a fundamental reference point for alkaline earth metal carbonates. It is distinguished by its unique structural versatility and its specific role in industrial applications where strontium-based precursors are required for performance optimization.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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