KPO4
KPO4 is a semimetallic inorganic compound consisting of potassium, phosphorus, and oxygen that exhibits metastable thermodynamic characteristics.
About KPO4
KPO4 is a complex inorganic compound composed of potassium, phosphorus, and oxygen. It exhibits a semimetallic electronic character, placing it in a unique position regarding its electrical conductivity compared to typical insulating phosphates.
Due to its position above the thermodynamic hull, this material is considered metastable or unstable under standard conditions. Despite this, it remains a subject of interest in structural chemistry, with multiple distinct arrangements reported across various databases.
Key Properties
Cross-validated computational properties for KPO4, aggregated across 4 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 KPO4, 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. |
|---|---|---|---|---|---|
| I41/amd (No. 141) | tetragonal | 0.00 | 0.1954 | -6.432 | 2.06 |
| I-42d (No. 122) | tetragonal | 0.00 | 0.1959 | -6.432 | 2.06 |
| P21 (No. 4) | monoclinic | 0.00 | 0.2107 | -6.417 | 2.10 |
| P21/c (No. 14) | monoclinic | 0.00 | 0.2156 | -6.412 | 2.10 |
| P21/m (No. 11) | monoclinic | 0.00 | 0.2213 | -6.407 | 2.07 |
| P21/c (No. 14) | monoclinic | 0.00 | 0.2860 | -6.400 | 1.94 |
| I-42d (No. 122) | tetragonal | 0.01 | 0.3442 | -6.284 | 1.86 |
| I41/amd (No. 141) | Tetragonal | — | — | — | 2.06 |
| I41/amd (No. 141) | Tetragonal | — | — | — | 2.18 |
| I41/amd (No. 141) | Tetragonal | — | — | — | 2.09 |
| No. 0 | unknown | — | — | — | 0.29 |
| I41/amd (No. 141) | — | — | — | — | — |
Frequently Asked Questions
Common questions about KPO4, answered from cross-validated data.
What is KPO4?
KPO4 is a semimetallic inorganic compound consisting of potassium, phosphorus, and oxygen that exhibits metastable thermodynamic characteristics.
What is the band gap of KPO4?
Is KPO4 a metal, semiconductor, or insulator?
Is KPO4 thermodynamically stable?
What is the crystal structure of KPO4?
What is the density of KPO4?
How many polymorphs of KPO4 are known?
What elements does KPO4 contain?
Where does the data for KPO4 come from?
How It Compares
As a unique entry in this chemical space, KPO4 represents a challenging case of structural diversity where the combination of alkali metals and phosphate groups leads to unconventional electronic behavior.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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