Ni4Sn4Ti4
Ni4Sn4Ti4 has a DFT band gap of 0.45 eV across 9 reported structures in 2 space groups; its lowest-energy polymorph is cubic (F-43m (No. 216)). Cross-validated across 3 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Ni4Sn4Ti4, 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.
0.45 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.
9
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Ni4Sn4Ti4, 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 | 0.45 | 0.0000 | -6.424 | 7.26 |
| F-43m (No. 216) | cubic | 0.00 | 0.6642 | -5.760 | 6.45 |
| F-43m (No. 216) | cubic | 0.00 | 0.7002 | -5.724 | 6.42 |
| No. 0 | unknown | — | — | — | 12.44 |
| No. 0 | unknown | — | — | — | 1.78 |
| — | — | — | — | — | 6.04 |
| No. 0 | unknown | — | — | — | 1.80 |
| No. 0 | unknown | — | — | — | 1.66 |
| No. 0 | unknown | — | — | — | 1.79 |
Reference
Frequently Asked Questions
Common questions about Ni4Sn4Ti4, answered from cross-validated data.
What is the band gap of Ni4Sn4Ti4?
Ni4Sn4Ti4 has a DFT-computed band gap of 0.45 eV across 9 reported structures.
More questions
Is Ni4Sn4Ti4 a metal, semiconductor, or insulator?
With a band gap up to 0.45 eV it is a semiconductor.
Is Ni4Sn4Ti4 thermodynamically stable?
Yes — Ni4Sn4Ti4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Ni4Sn4Ti4?
The lowest-energy reported polymorph of Ni4Sn4Ti4 is cubic symmetry, space group F-43m (No. 216).
What is the density of Ni4Sn4Ti4?
The computed density of the ground-state structure of Ni4Sn4Ti4 is 7.26 g/cm³.
How many polymorphs of Ni4Sn4Ti4 are known?
9 structures of Ni4Sn4Ti4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Ni4Sn4Ti4 contain?
Ni4Sn4Ti4 contains Ni, Sn, and Ti (3 elements).
Where does the data for Ni4Sn4Ti4 come from?
Ni4Sn4Ti4 data is cross-referenced from materials_project, cod, omat24.
Explore
Related Compounds
Other Half-Heusler Thermoelectrics in the database.
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 Ni4Sn4Ti4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →