NiSnTh
This compound is a ternary intermetallic material composed of nickel, tin, and thorium. It is primarily studied in the field of condensed matter physics to understand the structural and electronic properties of actinide-based alloys.
NiSnTh
Overview
Key Properties
Cross-validated computational properties for NiSnTh, 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.
0.27 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)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
7
3 databases, 3 space groups
Validation
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of NiSnTh. 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.
1.00 / 1.00
Trust tier: medium
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
0.000 eV
EAH spread across sources
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
1
materials_project
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
All match
Crystallography
Reported Structures
Lowest-energy structures reported for NiSnTh, 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. |
|---|---|---|---|---|---|
| F-43m (No. 216) | cubic | 0.27 | 0.0000 | -6.424 | 9.63 |
| P4/nmm (No. 129) | tetragonal | 0.00 | 0.0000 | -5.922 | 11.50 |
| F-43m (No. 216) | cubic | 0.00 | 1.0101 | -5.414 | 7.87 |
| No. 0 | unknown | — | — | — | 2.43 |
| — | — | — | — | — | 9.92 |
| No. 0 | unknown | — | — | — | 2.43 |
| No. 0 | unknown | — | — | — | 2.43 |
Uses
Applications
Where NiSnTh is used.
Materials science researchSolid-state physics studies
Reference
Frequently Asked Questions
Common questions about NiSnTh, answered from cross-validated data.
What is NiSnTh?
This compound is a ternary intermetallic material composed of nickel, tin, and thorium. It is primarily studied in the field of condensed matter physics to understand the structural and electronic properties of actinide-based alloys.
More questions
What is NiSnTh used for?
NiSnTh is used in materials science research and solid-state physics studies.
What is the band gap of NiSnTh?
NiSnTh has a DFT-computed band gap of 0.27 eV across 7 reported structures.
Is NiSnTh a metal, semiconductor, or insulator?
With a band gap up to 0.27 eV it is a semiconductor.
Is NiSnTh thermodynamically stable?
Yes — NiSnTh sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of NiSnTh?
The lowest-energy reported polymorph of NiSnTh is cubic symmetry, space group F-43m (No. 216).
What is the density of NiSnTh?
The computed density of the ground-state structure of NiSnTh is 9.63 g/cm³.
How many polymorphs of NiSnTh are known?
7 structures of NiSnTh are reported across 3 databases, spanning 3 distinct space groups.
What elements does NiSnTh contain?
NiSnTh contains Ni, Sn, and Th (3 elements).
Where does the data for NiSnTh come from?
NiSnTh data is cross-referenced from materials_project, cod, omat24.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- 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).
Analyze NiSnTh in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →