Sc3Sb2
Sc3Sb2 is a semiconducting binary compound of scandium and antimony that exhibits complex structural diversity.
About Sc3Sb2
Sc3Sb2 is a semiconducting binary compound composed of scandium and antimony. It represents a complex structural system, as evidenced by the multiple reported configurations found in crystallographic databases. The compound is characterized as being above the hull, suggesting it is thermodynamically unstable under standard conditions. Its electronic properties categorize it as a semiconductor, making it a subject of interest for fundamental studies in transition metal pnictides.
Key Properties
Cross-validated computational properties for Sc3Sb2, 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.
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.
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.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Sc3Sb2, 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. |
|---|---|---|---|---|---|
| P4/mmm (No. 123) | tetragonal | 0.13 | 3.3867 | -14.720 | 0.09 |
| P4mm (No. 99) | Tetragonal | — | — | — | 4.39 |
| P4mm (No. 99) | Tetragonal | — | — | — | 4.21 |
| P4mm (No. 99) | Tetragonal | — | — | — | 4.30 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.89 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.54 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.22 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.15 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.07 |
| R32 (No. 155) | Trigonal | — | — | — | 4.36 |
| P1 (No. 1) | Triclinic | — | — | — | 2.97 |
| P1 (No. 1) | Triclinic | — | — | — | 3.36 |
Frequently Asked Questions
Common questions about Sc3Sb2, answered from cross-validated data.
What is Sc3Sb2?
Sc3Sb2 is a semiconducting binary compound of scandium and antimony that exhibits complex structural diversity.
What is the band gap of Sc3Sb2?
Is Sc3Sb2 a metal, semiconductor, or insulator?
Is Sc3Sb2 thermodynamically stable?
What is the crystal structure of Sc3Sb2?
What is the density of Sc3Sb2?
How many polymorphs of Sc3Sb2 are known?
What elements does Sc3Sb2 contain?
Where does the data for Sc3Sb2 come from?
How It Compares
As a binary scandium antimonide, Sc3Sb2 occupies a unique position in materials research. While it lacks direct structural siblings in this specific dataset, it serves as a critical reference point for understanding the phase stability and electronic behavior of transition metal-based pnictides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
Analyze Sc3Sb2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →