Th3Bi4
Th3Bi4 is a thermodynamically stable semimetallic compound formed from thorium and bismuth.
About Th3Bi4
Th3Bi4 is a distinct intermetallic compound composed of thorium and bismuth. It is recognized for its thermodynamic stability, sitting securely on the convex hull, which suggests a robust structural configuration under standard conditions.
This material exhibits a near-zero-gap electronic character, placing it in the category of semimetals. Its electronic behavior makes it a subject of interest for researchers investigating the intersection of heavy-element chemistry and condensed matter physics.
Key Properties
Cross-validated computational properties for Th3Bi4, 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 Th3Bi4, 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. |
|---|---|---|---|---|---|
| I-43d (No. 220) | cubic | 0.09 | 0.0000 | -6.023 | 11.25 |
| I-43d (No. 220) | — | — | — | — | — |
| I-43d (No. 220) | Cubic | — | — | — | 11.27 |
| I-43d (No. 220) | Cubic | — | — | — | 11.24 |
| I-43d (No. 220) | Cubic | — | — | — | 11.28 |
Frequently Asked Questions
Common questions about Th3Bi4, answered from cross-validated data.
What is Th3Bi4?
Th3Bi4 is a thermodynamically stable semimetallic compound formed from thorium and bismuth.
What is the band gap of Th3Bi4?
Is Th3Bi4 a metal, semiconductor, or insulator?
Is Th3Bi4 thermodynamically stable?
What is the crystal structure of Th3Bi4?
What is the density of Th3Bi4?
How many polymorphs of Th3Bi4 are known?
What elements does Th3Bi4 contain?
Where does the data for Th3Bi4 come from?
How It Compares
As a specific thorium-bismuth intermetallic, Th3Bi4 represents a specialized composition within the broader landscape of actinide-based semimetallic compounds. It is distinguished by its high degree of structural stability, which provides a reliable baseline for studying the electronic properties of thorium-rich phases.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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