NdTh
NdTh is a metastable metallic intermetallic compound formed from neodymium and thorium.
About NdTh
NdTh is a metallic intermetallic compound composed of neodymium and thorium. As a metallic system, it exhibits characteristic electron delocalization and conductivity typical of rare-earth and actinide alloys.
Despite its metastable nature, the material has been documented across multiple structural configurations in various databases. Its significance lies in its role as a subject of fundamental research into the complex phase behavior of lanthanide-actinide binary systems.
Key Properties
Cross-validated computational properties for NdTh, aggregated across 5 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 NdTh. 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 NdTh, 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 | 0.0488 | -51.398 | 9.37 |
| R-3m (No. 166) | Trigonal | — | — | — | 9.38 |
| R-3m (No. 166) | Trigonal | — | — | — | 9.96 |
| R-3m (No. 166) | Trigonal | — | — | — | 9.62 |
| R-3m (No. 166) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 4.68 |
| — | — | — | — | — | 9.29 |
Applications
Where NdTh is used.
Frequently Asked Questions
Common questions about NdTh, answered from cross-validated data.
What is NdTh?
NdTh is a metastable metallic intermetallic compound formed from neodymium and thorium.
What is NdTh used for?
What is the band gap of NdTh?
Is NdTh a metal, semiconductor, or insulator?
Is NdTh thermodynamically stable?
What is the crystal structure of NdTh?
What is the density of NdTh?
How many polymorphs of NdTh are known?
What elements does NdTh contain?
Where does the data for NdTh come from?
How It Compares
As a unique binary combination of a lanthanide and an actinide, NdTh represents a specialized niche in materials science. Without direct structural analogs in this specific class, it serves as a critical data point for understanding the interaction between f-block elements in metastable metallic phases.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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