Nb3Ge
Nb3Ge has a DFT band gap of Metallic / not reported across 47 reported structures in 16 space groups; its lowest-energy polymorph is tetragonal (P42/n (No. 86)). Cross-validated across 3 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Nb3Ge, 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.
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.
0.002 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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
47
3 databases, 16 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Nb3Ge, 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. |
|---|---|---|---|---|---|
| P42/n (No. 86) | tetragonal | 0.00 | 0.0019 | -9.050 | 8.25 |
| Pm-3n (No. 223) | cubic | 0.00 | 0.0537 | -8.998 | 8.44 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.1345 | -8.917 | 8.37 |
| I4/mcm (No. 140) | tetragonal | 0.00 | 0.1636 | -8.888 | 8.17 |
| Amm2 (No. 38) | orthorhombic | 0.00 | 0.2206 | -8.831 | 8.12 |
| Pm-3n (No. 223) | Cubic | — | — | — | 8.42 |
| I4/mcm (No. 140) | Tetragonal | — | — | — | 8.23 |
| Pm-3m (No. 221) | Cubic | — | — | — | 8.37 |
| Pm-3m (No. 221) | Cubic | — | — | — | 8.54 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.16 |
| Pm-3n (No. 223) | Cubic | — | — | — | 8.43 |
| P42/n (No. 86) | Tetragonal | — | — | — | 8.26 |
Reference
Frequently Asked Questions
Common questions about Nb3Ge, answered from cross-validated data.
What is the band gap of Nb3Ge?
Nb3Ge is computed to be metallic (no band gap) in the reported DFT structures.
More questions
Is Nb3Ge a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Nb3Ge thermodynamically stable?
Nb3Ge has a lowest energy above hull of 0.002 eV/atom (near hull (likely stable)).
What is the crystal structure of Nb3Ge?
The lowest-energy reported polymorph of Nb3Ge is tetragonal symmetry, space group P42/n (No. 86).
What is the density of Nb3Ge?
The computed density of the ground-state structure of Nb3Ge is 8.25 g/cm³.
How many polymorphs of Nb3Ge are known?
47 structures of Nb3Ge are reported across 3 databases, spanning 16 distinct space groups.
What elements does Nb3Ge contain?
Nb3Ge contains Ge and Nb (2 elements).
Where does the data for Nb3Ge come from?
Nb3Ge data is cross-referenced from materials_project, mpaloe.
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Related Compounds
Other A15 Superconductors in the database.
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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