LiOs2W

LiOs2W is a semiconducting ternary compound containing lithium, osmium, and tungsten that is currently of interest for structural and electronic characterization.

LiOsW
Crystal structure of LiOs2W (orthorhombic, Immm (No. 71))
Ground-state structure · Materials Project
Overview

About LiOs2W

LiOs2W is a complex ternary compound composed of lithium, osmium, and tungsten. As a semiconducting material, it exhibits electronic properties that distinguish it from simple metallic alloys, positioning it as an interesting subject for fundamental condensed matter research. The compound is characterized by a relatively high energy above the convex hull, suggesting that it is thermodynamically metastable. Despite this, the existence of multiple reported structures across various databases underscores its significance in systematic materials exploration.

At a glance

Key Properties

Cross-validated computational properties for LiOs2W, aggregated across 4 databases.

Band Gap

0.29 eV
Range across DFT structures

Energy Above Hull

3.923 eV/atom
Best (lowest) across sources

Stability

Above hull
3 DFT sources

Structures

9
4 databases, 3 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for LiOs2W, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Immm (No. 71)orthorhombic0.293.9228-36.0421.28
16.70
14.28
Cm (No. 8)Monoclinic9.12
Cm (No. 8)Monoclinic22.59
Cm (No. 8)Monoclinic15.47
Immm (No. 71)
16.71
C2/m (No. 12)
Reference

Frequently Asked Questions

Common questions about LiOs2W, answered from cross-validated data.

What is LiOs2W?

LiOs2W is a semiconducting ternary compound containing lithium, osmium, and tungsten that is currently of interest for structural and electronic characterization.

More questions
What is the band gap of LiOs2W?
LiOs2W has a DFT-computed band gap of 0.29 eV across 9 reported structures.
Is LiOs2W a metal, semiconductor, or insulator?
With a band gap up to 0.29 eV it is a semiconductor.
Is LiOs2W thermodynamically stable?
LiOs2W has a lowest energy above hull of 3.923 eV/atom (above hull).
What is the crystal structure of LiOs2W?
The lowest-energy reported polymorph of LiOs2W is orthorhombic symmetry, space group Immm (No. 71).
What is the density of LiOs2W?
The computed density of the ground-state structure of LiOs2W is 1.28 g/cm³.
How many polymorphs of LiOs2W are known?
9 structures of LiOs2W are reported across 4 databases, spanning 3 distinct space groups.
What elements does LiOs2W contain?
LiOs2W contains Li, Os, and W (3 elements).
Where does the data for LiOs2W come from?
LiOs2W data is cross-referenced from materials_project, omat24, mpaloe, jarvis.
Comparison

How It Compares

As a unique ternary phase, LiOs2W occupies a specialized niche in materials science where the interplay between heavy transition metals like osmium and tungsten and light alkali metals like lithium is explored to understand complex bonding environments in metastable systems.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
  • mpaloe — Data from mpaloe.
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).

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