N8O24Tl8
This compound is a complex thallium nitrate salt. It is primarily utilized in specialized laboratory research and as a precursor for the synthesis of other thallium-containing materials.
NOTl
Overview
Key Properties
Cross-validated computational properties for N8O24Tl8, 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.
2.87 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
7
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for N8O24Tl8, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 2.85 | 0.0000 | -6.098 | 5.93 |
| P31 (No. 144) | trigonal | 2.87 | 0.0044 | -6.094 | 6.00 |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.6832 | -5.415 | 4.91 |
| — | — | — | — | — | 5.43 |
| — | — | — | — | — | 5.43 |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
Uses
Applications
Where N8O24Tl8 is used.
Chemical synthesisLaboratory researchPrecursor for inorganic materials
Reference
Frequently Asked Questions
Common questions about N8O24Tl8, answered from cross-validated data.
What is N8O24Tl8?
This compound is a complex thallium nitrate salt. It is primarily utilized in specialized laboratory research and as a precursor for the synthesis of other thallium-containing materials.
What is N8O24Tl8 used for?
N8O24Tl8 is used in chemical synthesis, laboratory research, and precursor for inorganic materials.
What is the band gap of N8O24Tl8?
N8O24Tl8 has a DFT-computed band gap of 2.87 eV across 7 reported structures.
Is N8O24Tl8 a metal, semiconductor, or insulator?
With a band gap up to 2.87 eV it is a semiconductor.
Is N8O24Tl8 thermodynamically stable?
Yes — N8O24Tl8 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of N8O24Tl8?
The lowest-energy reported polymorph of N8O24Tl8 is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of N8O24Tl8?
The computed density of the ground-state structure of N8O24Tl8 is 5.93 g/cm³.
How many polymorphs of N8O24Tl8 are known?
7 structures of N8O24Tl8 are reported across 3 databases, spanning 2 distinct space groups.
What elements does N8O24Tl8 contain?
N8O24Tl8 contains N, O, and Tl (3 elements).
Where does the data for N8O24Tl8 come from?
N8O24Tl8 data is cross-referenced from materials_project, omat24, aflow.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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