Cl12Tb4
Cl12Tb4 is a stable, insulating terbium chloride compound used primarily in fundamental solid-state research.

About Cl12Tb4
Cl12Tb4 is a stable inorganic compound composed of terbium and chlorine. As a wide-gap insulator, it exhibits distinct electronic properties that define its behavior within solid-state systems, marking it as a thermodynamically favored phase on the convex hull.
Its structural diversity is evidenced by multiple reported configurations across scientific databases. This compound serves as a critical reference point for researchers investigating the complex coordination chemistry and bonding environments of rare-earth halides.
Key Properties
Cross-validated computational properties for Cl12Tb4, 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 Cl12Tb4, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 3.80 | 0.0000 | -14.960 | 4.45 |
| P63/m (No. 176) | hexagonal | 4.10 | 0.0073 | -14.953 | 4.58 |
| P42/mnm (No. 136) | tetragonal | 4.52 | 0.0165 | -14.944 | 3.66 |
| P42/mnm (No. 136) | — | — | — | — | — |
| — | — | — | — | — | 2.47 |
Applications
Where Cl12Tb4 is used.
Frequently Asked Questions
Common questions about Cl12Tb4, answered from cross-validated data.
What is Cl12Tb4?
Cl12Tb4 is a stable, insulating terbium chloride compound used primarily in fundamental solid-state research.
What is Cl12Tb4 used for?
What is the band gap of Cl12Tb4?
Is Cl12Tb4 a metal, semiconductor, or insulator?
Is Cl12Tb4 thermodynamically stable?
What is the crystal structure of Cl12Tb4?
What is the density of Cl12Tb4?
How many polymorphs of Cl12Tb4 are known?
What elements does Cl12Tb4 contain?
Where does the data for Cl12Tb4 come from?
How It Compares
As a specialized rare-earth halide, Cl12Tb4 occupies a unique position in the landscape of inorganic materials. Without direct structural siblings in this specific grouping, it serves as a primary example of how terbium-based halides maintain thermodynamic stability while providing a clear, insulating electronic profile for fundamental materials research.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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