HoTh
HoTh is a metastable metallic intermetallic compound formed from the elements holmium and thorium.
About HoTh
HoTh is a binary intermetallic compound composed of holmium and thorium. As a metallic system, it exhibits characteristic electronic conduction properties typical of rare-earth and actinide alloys, though it exists in a metastable state that requires specific synthesis conditions to stabilize.
This compound is primarily of interest in fundamental materials research, where its structural diversity and complex bonding interactions are studied. Its existence across multiple databases highlights its role as a subject of interest for understanding the phase stability of heavy lanthanide-actinide combinations.
Key Properties
Cross-validated computational properties for HoTh, aggregated across 6 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of HoTh. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for HoTh, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 0.00 | 0.0307 | -53.148 | 10.49 |
| R-3m (No. 166) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 10.44 |
| No. 0 | unknown | — | — | — | 5.15 |
| R-3m (No. 166) | Trigonal | — | — | — | 10.61 |
| F-43m (No. 216) | — | — | — | — | — |
| — | — | — | — | — | 10.38 |
| R-3m (No. 166) | Trigonal | — | — | — | 10.45 |
| R-3m (No. 166) | Trigonal | — | — | — | 10.67 |
Applications
Where HoTh is used.
Frequently Asked Questions
Common questions about HoTh, answered from cross-validated data.
What is HoTh?
HoTh is a metastable metallic intermetallic compound formed from the elements holmium and thorium.
What is HoTh used for?
What is the band gap of HoTh?
Is HoTh a metal, semiconductor, or insulator?
Is HoTh thermodynamically stable?
What is the crystal structure of HoTh?
What is the density of HoTh?
How many polymorphs of HoTh are known?
What elements does HoTh contain?
Where does the data for HoTh come from?
How It Compares
As a binary intermetallic phase, HoTh represents a specific point in the vast landscape of rare-earth and actinide alloys. Without other direct structural siblings in its immediate class, it serves as a distinct case study for how holmium and thorium interact to form metastable metallic lattices.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- mpaloe — Data from mpaloe.
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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