ZrCoSb
ZrCoSb has a DFT band gap of Metallic / not reported across 2 reported structures in 1 space group; its lowest-energy polymorph is cubic (F-43m (No. 216)). Cross-validated across 2 computational databases.
At a glance
Key Properties
Cross-validated computational properties for ZrCoSb, aggregated across 2 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.
0.609 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
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
2
2 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for ZrCoSb, 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 | 0.00 | 0.6093 | -20.494 | 7.14 |
| F-43m (No. 216) | — | — | — | — | — |
Reference
Frequently Asked Questions
Common questions about ZrCoSb, answered from cross-validated data.
What is the band gap of ZrCoSb?
ZrCoSb is computed to be metallic (no band gap) in the reported DFT structures.
More questions
Is ZrCoSb a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is ZrCoSb thermodynamically stable?
ZrCoSb has a lowest energy above hull of 0.609 eV/atom (above hull).
What is the crystal structure of ZrCoSb?
The lowest-energy reported polymorph of ZrCoSb is cubic symmetry, space group F-43m (No. 216).
What is the density of ZrCoSb?
The computed density of the ground-state structure of ZrCoSb is 7.14 g/cm³.
How many polymorphs of ZrCoSb are known?
2 structures of ZrCoSb are reported across 2 databases, spanning 1 distinct space group.
What elements does ZrCoSb contain?
ZrCoSb contains Co, Sb, and Zr (3 elements).
Where does the data for ZrCoSb come from?
ZrCoSb data is cross-referenced from materials_project, jarvis.
Explore
Related Compounds
Other Skutterudite Thermoelectrics in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
Analyze ZrCoSb in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →