HfNb
Hafnium niobium is a binary intermetallic compound composed of transition metals. It is primarily studied for its potential structural properties in high-performance engineering environments.
HfNb
Overview
Key Properties
Cross-validated computational properties for HfNb, aggregated across 7 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.
0.114 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.
Above hull
5 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
153
7 databases, 24 space groups
Validation
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of HfNb. 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: high
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.
3
jarvis, materials_project, nomad
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 HfNb, 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. |
|---|---|---|---|---|---|
| Cmmm (No. 65) | orthorhombic | 0.00 | 0.1138 | -34.829 | 11.20 |
| P2/c (No. 13) | Monoclinic | — | — | — | 11.03 |
| P4mm (No. 99) | Tetragonal | — | — | — | 13.41 |
| Pm (No. 6) | Monoclinic | — | — | — | 9.67 |
| Pmma (No. 51) | Orthorhombic | — | — | — | 11.81 |
| Pm (No. 6) | Monoclinic | — | — | — | 11.18 |
| P2/c (No. 13) | Monoclinic | — | — | — | 8.83 |
| Pmma (No. 51) | Orthorhombic | — | — | — | 11.39 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.85 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 12.60 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 8.89 |
| P2/c (No. 13) | Monoclinic | — | — | — | 13.70 |
Uses
Applications
Where HfNb is used.
High-temperature structural materials researchSuperconducting alloy developmentRefractory metal studies
Reference
Frequently Asked Questions
Common questions about HfNb, answered from cross-validated data.
What is HfNb?
Hafnium niobium is a binary intermetallic compound composed of transition metals. It is primarily studied for its potential structural properties in high-performance engineering environments.
More questions
What is HfNb used for?
HfNb is used in high-temperature structural materials research, superconducting alloy development, and refractory metal studies.
What is the band gap of HfNb?
HfNb is computed to be metallic (no band gap) in the reported DFT structures.
Is HfNb a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is HfNb thermodynamically stable?
HfNb has a lowest energy above hull of 0.114 eV/atom (above hull).
What is the crystal structure of HfNb?
The lowest-energy reported polymorph of HfNb is orthorhombic symmetry, space group Cmmm (No. 65).
What is the density of HfNb?
The computed density of the ground-state structure of HfNb is 11.20 g/cm³.
How many polymorphs of HfNb are known?
153 structures of HfNb are reported across 7 databases, spanning 24 distinct space groups.
What elements does HfNb contain?
HfNb contains Hf and Nb (2 elements).
Where does the data for HfNb come from?
HfNb data is cross-referenced from materials_project, mpaloe, nomad, omat24.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- 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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