NbSb2
Niobium diantimonide is an inorganic intermetallic compound composed of niobium and antimony. It is primarily studied in condensed matter physics for its electronic properties and potential behavior as a topological semimetal.
NbSb
Overview
Key Properties
Cross-validated computational properties for NbSb2, aggregated across 4 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.
Metallic / not reported
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)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
88
4 databases, 18 space groups
Validation
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of NbSb2. 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.
2
jarvis, 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 NbSb2, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 0.00 | 0.0000 | -25.697 | 8.10 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.67 |
| P1 (No. 1) | Triclinic | — | — | — | 4.70 |
| P-1 (No. 2) | Triclinic | — | — | — | 10.81 |
| I4/mcm (No. 140) | Tetragonal | — | — | — | 5.03 |
| C2/m (No. 12) | Monoclinic | — | — | — | 7.89 |
| C2/m (No. 12) | Monoclinic | — | — | — | 8.11 |
| C2/m (No. 12) | Monoclinic | — | — | — | 7.41 |
| Cm (No. 8) | Monoclinic | — | — | — | 7.32 |
| C2 (No. 5) | Monoclinic | — | — | — | 11.41 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.79 |
| P1 (No. 1) | Triclinic | — | — | — | 4.88 |
Uses
Applications
Where NbSb2 is used.
Condensed matter physics researchElectronic material studiesQuantum material development
Reference
Frequently Asked Questions
Common questions about NbSb2, answered from cross-validated data.
What is NbSb2?
Niobium diantimonide is an inorganic intermetallic compound composed of niobium and antimony. It is primarily studied in condensed matter physics for its electronic properties and potential behavior as a topological semimetal.
More questions
What is NbSb2 used for?
NbSb2 is used in condensed matter physics research, electronic material studies, and quantum material development.
What is the band gap of NbSb2?
NbSb2 is computed to be metallic (no band gap) in the reported DFT structures.
Is NbSb2 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is NbSb2 thermodynamically stable?
Yes — NbSb2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of NbSb2?
The lowest-energy reported polymorph of NbSb2 is monoclinic symmetry, space group C2/m (No. 12).
What is the density of NbSb2?
The computed density of the ground-state structure of NbSb2 is 8.10 g/cm³.
How many polymorphs of NbSb2 are known?
88 structures of NbSb2 are reported across 4 databases, spanning 18 distinct space groups.
What elements does NbSb2 contain?
NbSb2 contains Nb and Sb (2 elements).
Where does the data for NbSb2 come from?
NbSb2 data is cross-referenced from materials_project, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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