B3O12P3
B3O12P3 is a thermodynamically stable, insulating borophosphate compound used in materials research.
About B3O12P3
B3O12P3 is a complex borophosphate compound characterized by its insulating electronic nature and high thermodynamic stability. As a member of the borophosphate family, it exhibits a rigid structural framework that is of significant interest for materials science research.
Its inherent stability and electronic properties make it a candidate for specialized applications where wide-gap materials are required. The compound has been identified across multiple structural databases, highlighting its relevance in the study of complex ternary oxide systems.
Key Properties
Cross-validated computational properties for B3O12P3, 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.
Reported Structures
Lowest-energy structures reported for B3O12P3, 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. |
|---|---|---|---|---|---|
| I-4 (No. 82) | tetragonal | 7.26 | 0.0000 | -8.079 | 2.80 |
| P3121 (No. 152) | trigonal | 7.00 | 0.0390 | -8.040 | 3.08 |
| P3121 (No. 152) | — | — | — | — | — |
| — | — | — | — | — | 2.72 |
Applications
Where B3O12P3 is used.
Frequently Asked Questions
Common questions about B3O12P3, answered from cross-validated data.
What is B3O12P3?
B3O12P3 is a thermodynamically stable, insulating borophosphate compound used in materials research.
What is B3O12P3 used for?
What is the band gap of B3O12P3?
Is B3O12P3 a metal, semiconductor, or insulator?
Is B3O12P3 thermodynamically stable?
What is the crystal structure of B3O12P3?
What is the density of B3O12P3?
How many polymorphs of B3O12P3 are known?
What elements does B3O12P3 contain?
Where does the data for B3O12P3 come from?
How It Compares
As a distinct borophosphate, B3O12P3 represents a stable structural arrangement within the broader class of boron-phosphorus-oxygen compounds, serving as a reference point for understanding the phase stability of complex ternary oxides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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