PO4
Phosphate radical
This chemical species is a polyatomic ion consisting of a central phosphorus atom surrounded by four oxygen atoms. It serves as a fundamental building block in biological systems and is a key component in various mineral structures and industrial chemical processes.
Key Properties
Cross-validated computational properties for PO4, aggregated across 2 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 PO4, 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 | 0.50 | 0.3892 | -6.367 | 1.66 |
| Pccn (No. 56) | orthorhombic | 0.00 | 0.8321 | -5.924 | 1.47 |
| P1 (No. 1) | Triclinic | — | — | — | 3.46 |
| P1 (No. 1) | Triclinic | — | — | — | 3.05 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 3.54 |
| P1 (No. 1) | Triclinic | — | — | — | 3.09 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.15 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.81 |
| I4mm (No. 107) | Tetragonal | — | — | — | 3.20 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 5.88 |
| P4mm (No. 99) | Tetragonal | — | — | — | 2.23 |
| P1 (No. 1) | Triclinic | — | — | — | 4.19 |
Synthesis Routes
Literature-extracted synthesis procedures targeting PO4.
Applications
Where PO4 is used.
Frequently Asked Questions
Common questions about PO4, answered from cross-validated data.
What is PO4?
This chemical species is a polyatomic ion consisting of a central phosphorus atom surrounded by four oxygen atoms. It serves as a fundamental building block in biological systems and is a key component in various mineral structures and industrial chemical processes.
What is PO4 used for?
What is the band gap of PO4?
Is PO4 a metal, semiconductor, or insulator?
Is PO4 thermodynamically stable?
What is the crystal structure of PO4?
What is the density of PO4?
How many polymorphs of PO4 are known?
How is PO4 synthesized?
What elements does PO4 contain?
Where does the data for PO4 come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
Analyze PO4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →