LuSe
Lutetium selenide is a binary inorganic compound composed of lutetium and selenium. It belongs to the class of rare-earth chalcogenides and is primarily studied for its electronic and structural properties in materials science research.
LuSe
Overview
Key Properties
Cross-validated computational properties for LuSe, 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.
0.022 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)
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
26
5 databases, 9 space groups
Validation
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of LuSe. 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: medium
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.
2
jarvis, materials_project
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 LuSe, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0223 | -28.008 | 9.63 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.57 |
| P-1 (No. 2) | Triclinic | — | — | — | 7.03 |
| Pm (No. 6) | Monoclinic | — | — | — | 10.34 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.41 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 7.56 |
| Pmma (No. 51) | Orthorhombic | — | — | — | 9.07 |
| Pmma (No. 51) | Orthorhombic | — | — | — | 6.64 |
| P-1 (No. 2) | Triclinic | — | — | — | 9.78 |
| P2/m (No. 10) | Monoclinic | — | — | — | 6.44 |
| P2/m (No. 10) | Monoclinic | — | — | — | 7.34 |
| C2/m (No. 12) | Monoclinic | — | — | — | 8.14 |
Uses
Applications
Where LuSe is used.
Semiconductor researchMaterials science studiesSolid-state chemistry
Reference
Frequently Asked Questions
Common questions about LuSe, answered from cross-validated data.
What is LuSe?
Lutetium selenide is a binary inorganic compound composed of lutetium and selenium. It belongs to the class of rare-earth chalcogenides and is primarily studied for its electronic and structural properties in materials science research.
More questions
What is LuSe used for?
LuSe is used in semiconductor research, materials science studies, and solid-state chemistry.
What is the band gap of LuSe?
LuSe is computed to be metallic (no band gap) in the reported DFT structures.
Is LuSe a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is LuSe thermodynamically stable?
LuSe has a lowest energy above hull of 0.022 eV/atom (near hull (likely stable)).
What is the crystal structure of LuSe?
The lowest-energy reported polymorph of LuSe is cubic symmetry, space group Fm-3m (No. 225).
What is the density of LuSe?
The computed density of the ground-state structure of LuSe is 9.63 g/cm³.
How many polymorphs of LuSe are known?
26 structures of LuSe are reported across 5 databases, spanning 9 distinct space groups.
What elements does LuSe contain?
LuSe contains Lu and Se (2 elements).
Where does the data for LuSe come from?
LuSe data is cross-referenced from materials_project, mpaloe, jarvis, cod, omat24.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
Analyze LuSe in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →