LuSi
Lutetium silicide is a binary inorganic compound composed of lutetium and silicon. It belongs to the class of rare-earth metal silicides, which are primarily investigated for their potential integration into advanced semiconductor device architectures.
Overview
Key Properties
Cross-validated computational properties for LuSi, aggregated across 5 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.
0.000 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.
On hull (stable)
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
31
5 databases, 7 space groups
Validation
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of LuSi. 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 LuSi, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0000 | -24.286 | 8.45 |
| No. 0 | unknown | — | — | — | 6.84 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.22 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.81 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.85 |
| P1 (No. 1) | Triclinic | — | — | — | 4.92 |
| Fm-3m (No. 225) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 6.10 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.29 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.43 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.43 |
| Cm (No. 8) | Monoclinic | — | — | — | 7.86 |
Uses
Applications
Where LuSi is used.
Semiconductor researchElectronic component developmentMaterials science studies
Reference
Frequently Asked Questions
Common questions about LuSi, answered from cross-validated data.
What is LuSi?
Lutetium silicide is a binary inorganic compound composed of lutetium and silicon. It belongs to the class of rare-earth metal silicides, which are primarily investigated for their potential integration into advanced semiconductor device architectures.
More questions
What is LuSi used for?
LuSi is used in semiconductor research, electronic component development, and materials science studies.
What is the band gap of LuSi?
LuSi is computed to be metallic (no band gap) in the reported DFT structures.
Is LuSi a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is LuSi thermodynamically stable?
Yes — LuSi sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of LuSi?
The lowest-energy reported polymorph of LuSi is orthorhombic symmetry, space group Cmcm (No. 63).
What is the density of LuSi?
The computed density of the ground-state structure of LuSi is 8.45 g/cm³.
How many polymorphs of LuSi are known?
31 structures of LuSi are reported across 5 databases, spanning 7 distinct space groups.
What elements does LuSi contain?
LuSi contains Lu and Si (2 elements).
Where does the data for LuSi come from?
LuSi data is cross-referenced from materials_project, cod, mpaloe, nomad, jarvis.
Explore
Related Compounds
Other Silicon Anode Materials in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- mpaloe — Data from mpaloe.
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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