SrCO3
Strontianite · Strontium carbonate
Strontium carbonate is a white, odorless powder that occurs naturally as the mineral strontianite. It is primarily used as a precursor to other strontium compounds and serves as a key additive in various industrial manufacturing processes.
COSr
Overview
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.
4.28–4.66 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.
0.000 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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
17
3 databases, 4 space groups
Crystallography
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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 4.44 | 0.0000 | -7.852 | 3.79 |
| R-3c (No. 167) | trigonal | 4.66 | 0.0232 | -7.829 | 3.30 |
| 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 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.68 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.48 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.64 |
| R-3c (No. 167) | Trigonal | — | — | — | 3.33 |
| R-3c (No. 167) | Trigonal | — | — | — | 3.43 |
| R32 (No. 155) | — | — | — | — | — |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.80 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.63 |
Uses
Applications
Where Strontianite is used.
Glass manufacturingCeramic glazesPyrotechnicsFerrite magnetsMetal refining
Reference
Frequently Asked Questions
Common questions about Strontianite, answered from cross-validated data.
What is SrCO3?
Strontium carbonate is a white, odorless powder that occurs naturally as the mineral strontianite. It is primarily used as a precursor to other strontium compounds and serves as a key additive in various industrial manufacturing processes.
More questions
What is SrCO3 used for?
Strontianite (SrCO3) is used in glass manufacturing, ceramic glazes, pyrotechnics, ferrite magnets, and metal refining.
What is the band gap of SrCO3?
Strontianite (SrCO3) has a DFT-computed band gap of 4.28–4.66 eV across 17 reported structures.
Is SrCO3 a metal, semiconductor, or insulator?
With a wide band gap up to 4.66 eV it is an insulator / wide-band-gap material.
Is SrCO3 thermodynamically stable?
Yes — Strontianite (SrCO3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of SrCO3?
The lowest-energy reported polymorph of Strontianite (SrCO3) is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of SrCO3?
The computed density of the ground-state structure of Strontianite (SrCO3) is 3.79 g/cm³.
How many polymorphs of SrCO3 are known?
17 structures of SrCO3 are reported across 3 databases, spanning 4 distinct space groups.
What elements does SrCO3 contain?
Strontianite (SrCO3) contains C, O, and Sr (3 elements).
Where does the data for SrCO3 come from?
SrCO3 data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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