SbP2O7
SbP2O7 is a thermodynamically stable, semiconducting phosphate compound known for its diverse structural configurations.
About SbP2O7
SbP2O7 is a complex inorganic compound that functions as a semiconductor. Its position on the convex hull indicates that it is a thermodynamically stable phase, making it a robust candidate for materials science investigations. The compound is characterized by a rich structural landscape, with numerous reported configurations across multiple databases. This diversity in atomic arrangement suggests a high degree of flexibility in how its crystalline framework can be manipulated for specific electronic or physical requirements. As a stable semiconducting material, it serves as a foundational subject for researchers exploring the intersection of phosphate chemistry and electronic device physics. Its stability ensures that it maintains its structural integrity under standard conditions, which is a critical trait for materials intended for long-term functional use.
Key Properties
Cross-validated computational properties for SbP2O7, 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 SbP2O7, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 2.29 | 0.0000 | -7.347 | 3.71 |
| Pna21 (No. 33) | orthorhombic | 1.94 | 0.0001 | -7.347 | 3.79 |
| P21 (No. 4) | monoclinic | 0.02 | 0.0345 | -7.312 | 3.33 |
| P21/c (No. 14) | monoclinic | 0.00 | 0.0400 | -7.307 | 3.37 |
| P21/c (No. 14) | monoclinic | 0.00 | 0.0512 | -7.296 | 3.33 |
| P-1 (No. 2) | triclinic | 0.00 | 0.1206 | -7.226 | 3.47 |
| P21/c (No. 14) | monoclinic | 0.16 | 0.1281 | -7.219 | 3.71 |
| P21/c (No. 14) | monoclinic | 0.00 | 0.1433 | -7.204 | 3.64 |
| P21/c (No. 14) | monoclinic | 0.00 | 0.1591 | -7.188 | 3.38 |
| P-1 (No. 2) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 3.47 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.76 |
Applications
Where SbP2O7 is used.
Frequently Asked Questions
Common questions about SbP2O7, answered from cross-validated data.
What is SbP2O7?
SbP2O7 is a thermodynamically stable, semiconducting phosphate compound known for its diverse structural configurations.
What is SbP2O7 used for?
What is the band gap of SbP2O7?
Is SbP2O7 a metal, semiconductor, or insulator?
Is SbP2O7 thermodynamically stable?
What is the crystal structure of SbP2O7?
What is the density of SbP2O7?
How many polymorphs of SbP2O7 are known?
What elements does SbP2O7 contain?
Where does the data for SbP2O7 come from?
How It Compares
As a standalone entry in this context, SbP2O7 represents a unique example of a stable, semiconducting pyrophosphate. Its existence on the convex hull distinguishes it as a highly reliable phase within its chemical family, providing a benchmark for stability that other, less stable pyrophosphate derivatives may not achieve.
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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