La2Sb
La2Sb is a stable metallic intermetallic compound composed of lanthanum and antimony that exhibits significant structural variety.
About La2Sb
La2Sb is a metallic compound formed from lanthanum and antimony. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration of these elements that maintains structural integrity under standard conditions.
This material is characterized by its metallic electronic nature, lacking a band gap. Its significance in materials science is highlighted by its high data richness, with numerous documented structures across multiple databases, making it a subject of interest for fundamental studies in intermetallic bonding.
Key Properties
Cross-validated computational properties for La2Sb, 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.
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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of La2Sb. 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.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for La2Sb, 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. |
|---|---|---|---|---|---|
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0000 | -29.478 | 6.70 |
| P6/mmm (No. 191) | Hexagonal | — | — | — | 3.84 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.54 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.16 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.32 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.03 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.91 |
| P21/m (No. 11) | Monoclinic | — | — | — | 6.99 |
| P1 (No. 1) | Triclinic | — | — | — | 3.10 |
| P1 (No. 1) | Triclinic | — | — | — | 4.99 |
| P1 (No. 1) | Triclinic | — | — | — | 6.00 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.05 |
Applications
Where La2Sb is used.
Frequently Asked Questions
Common questions about La2Sb, answered from cross-validated data.
What is La2Sb?
La2Sb is a stable metallic intermetallic compound composed of lanthanum and antimony that exhibits significant structural variety.
What is La2Sb used for?
What is the band gap of La2Sb?
Is La2Sb a metal, semiconductor, or insulator?
Is La2Sb thermodynamically stable?
What is the crystal structure of La2Sb?
What is the density of La2Sb?
How many polymorphs of La2Sb are known?
What elements does La2Sb contain?
Where does the data for La2Sb come from?
How It Compares
As a standalone entry in this context, La2Sb serves as a primary example of a stable lanthanum-antimony intermetallic, providing a baseline for understanding the structural preferences and metallic behavior of rare-earth pnictides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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