SrB4O7
Strontium tetraborate · SBO
Strontium tetraborate is an inorganic crystalline material recognized for its optical properties. It is primarily utilized in the field of photonics for frequency conversion and as a host material for phosphors.
BOSr
Overview
Key Properties
Cross-validated computational properties for Strontium tetraborate, 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.
5.18–7.12 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.
0.007 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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
6
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for SrB4O7, 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. |
|---|---|---|---|---|---|
| Pmn21 (No. 31) | orthorhombic | 7.12 | 0.0068 | -8.271 | 4.00 |
| P3 (No. 143) | trigonal | 5.18 | 0.0089 | -8.269 | 3.26 |
| Pmn21 (No. 31) | — | — | — | — | — |
| Pmn21 (No. 31) | Orthorhombic | — | — | — | 3.89 |
| Pmn21 (No. 31) | Orthorhombic | — | — | — | 4.06 |
| Pmn21 (No. 31) | Orthorhombic | — | — | — | 3.97 |
Uses
Applications
Where Strontium tetraborate is used.
Non-linear opticsLaser technologyPhosphor host materialsRadiation dosimetry
Reference
Frequently Asked Questions
Common questions about Strontium tetraborate, answered from cross-validated data.
What is SrB4O7?
Strontium tetraborate is an inorganic crystalline material recognized for its optical properties. It is primarily utilized in the field of photonics for frequency conversion and as a host material for phosphors.
More questions
What is SrB4O7 used for?
Strontium tetraborate (SrB4O7) is used in non-linear optics, laser technology, phosphor host materials, and radiation dosimetry.
What is the band gap of SrB4O7?
Strontium tetraborate (SrB4O7) has a DFT-computed band gap of 5.18–7.12 eV across 6 reported structures.
Is SrB4O7 a metal, semiconductor, or insulator?
With a wide band gap up to 7.12 eV it is an insulator / wide-band-gap material.
Is SrB4O7 thermodynamically stable?
Strontium tetraborate (SrB4O7) has a lowest energy above hull of 0.007 eV/atom (near hull (likely stable)).
What is the crystal structure of SrB4O7?
The lowest-energy reported polymorph of Strontium tetraborate (SrB4O7) is orthorhombic symmetry, space group Pmn21 (No. 31).
What is the density of SrB4O7?
The computed density of the ground-state structure of Strontium tetraborate (SrB4O7) is 4.00 g/cm³.
How many polymorphs of SrB4O7 are known?
6 structures of SrB4O7 are reported across 3 databases, spanning 2 distinct space groups.
What elements does SrB4O7 contain?
Strontium tetraborate (SrB4O7) contains B, O, and Sr (3 elements).
Where does the data for SrB4O7 come from?
SrB4O7 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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