Tl2PO4
Tl2PO4 is a metastable, semiconducting thallium phosphate used primarily in fundamental materials research.
About Tl2PO4
Tl2PO4 is a complex phosphate compound characterized by its semiconducting electronic nature. As a metastable material, it exhibits structural sensitivity that makes it an intriguing subject for fundamental solid-state research and synthesis studies. Its composition, involving thallium and phosphorus, places it in a specialized category of inorganic compounds where electronic properties are highly dependent on the local coordination environment.
Because of its metastable state, Tl2PO4 is often studied to understand phase transitions and the stability limits of thallium-based phosphates. Researchers utilize this compound to explore how specific atomic arrangements influence charge transport, contributing to a broader understanding of complex semiconducting oxides and their potential for specialized technological integration.
Key Properties
Cross-validated computational properties for Tl2PO4, 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 Tl2PO4, 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. |
|---|---|---|---|---|---|
| Pc (No. 7) | monoclinic | 1.15 | 0.0682 | -6.175 | 5.57 |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.1005 | -6.143 | 7.35 |
| Pc (No. 7) | monoclinic | 0.00 | 0.1450 | -6.098 | 6.76 |
| Pc (No. 7) | Monoclinic | — | — | — | 5.57 |
| Pc (No. 7) | Monoclinic | — | — | — | 5.94 |
| Pc (No. 7) | Monoclinic | — | — | — | 5.69 |
| Pc (No. 7) | Monoclinic | — | — | — | 6.76 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 7.35 |
| Pc (No. 7) | Monoclinic | — | — | — | 7.25 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 7.84 |
| Pc (No. 7) | Monoclinic | — | — | — | 6.93 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 7.52 |
Applications
Where Tl2PO4 is used.
Frequently Asked Questions
Common questions about Tl2PO4, answered from cross-validated data.
What is Tl2PO4?
Tl2PO4 is a metastable, semiconducting thallium phosphate used primarily in fundamental materials research.
What is Tl2PO4 used for?
What is the band gap of Tl2PO4?
Is Tl2PO4 a metal, semiconductor, or insulator?
Is Tl2PO4 thermodynamically stable?
What is the crystal structure of Tl2PO4?
What is the density of Tl2PO4?
How many polymorphs of Tl2PO4 are known?
What elements does Tl2PO4 contain?
Where does the data for Tl2PO4 come from?
How It Compares
As a distinct inorganic phosphate, Tl2PO4 occupies a specialized niche within the landscape of thallium-based compounds. While many related phosphates are characterized by high thermodynamic stability, this compound is notable for its metastable nature, which sets it apart as a subject for advanced structural investigation and synthesis control.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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