LiSbTe2

LiSbTe2 is a semiconducting, metastable phase-change material used in the research and development of advanced non-volatile memory technologies.

Crystal structure of LiSbTe2 (cubic, Fm-3m (No. 225))
Ground-state structure · Materials Project
Overview

About LiSbTe2

LiSbTe2 is a semiconducting compound belonging to the class of phase-change materials, which are defined by their ability to transition between amorphous and crystalline states. As a metastable material, it offers unique structural flexibility that is highly valued in the development of advanced non-volatile memory devices.

This compound plays a critical role in research aimed at optimizing switching speeds and thermal stability in electronic components. By leveraging its distinct electronic properties, scientists are investigating how LiSbTe2 can contribute to more efficient data storage architectures compared to traditional silicon-based technologies.

At a glance

Key Properties

Cross-validated computational properties for LiSbTe2, aggregated across 5 databases.

Band Gap

0.18 eV
Range across DFT structures · ground state: small gap

Energy Above Hull

0.072 eV/atom
Best (lowest) across sources

Stability

Metastable
3 DFT sources

Structures

6
5 databases, 2 space groups
Validation

Cross-Source DFT Agreement

How well independent DFT databases agree on the thermodynamics of LiSbTe2. Tight agreement means computed properties can be trusted without re-running calculations.

Agreement Score

0.00 / 1.00
Trust tier: low

Hull Spread

0.256 eV
EAH spread across sources

Sources Compared

3
jarvis, materials_project, oqmd

Space Group Consensus

All match
Crystallography

Reported Structures

Lowest-energy structures reported for LiSbTe2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P4/mmm (No. 123)tetragonal0.180.0722-3.6905.56
P4/mmm (No. 123)tetragonal0.000.0863-0.412—
——0.000.3282-0.143—
Fm-3m (No. 225)cubic———5.75
Fm-3m (No. 225)cubic———5.59
—————5.15
Uses

Applications

Where LiSbTe2 is used.

Phase-change memory devicesNon-volatile data storageNeuromorphic computing research
Reference

Frequently Asked Questions

Common questions about LiSbTe2, answered from cross-validated data.

What is LiSbTe2?

LiSbTe2 is a semiconducting, metastable phase-change material used in the research and development of advanced non-volatile memory technologies.

More questions
What is LiSbTe2 used for?
LiSbTe2 is used in phase-change memory devices, non-volatile data storage, and neuromorphic computing research.
What is the band gap of LiSbTe2?
LiSbTe2 has a DFT-computed band gap of 0.18 eV across 6 reported structures. Standard DFT underestimates band gaps, so the measured gap is typically larger.
Is LiSbTe2 a metal, semiconductor, or insulator?
DFT predicts a band gap of up to 0.18 eV (a semiconductor). Measured gaps are typically larger.
Is LiSbTe2 thermodynamically stable?
LiSbTe2 has a lowest energy above hull of 0.072 eV/atom (metastable).
What is the crystal structure of LiSbTe2?
The reference structure of LiSbTe2 is cubic symmetry, space group Fm-3m (No. 225).
What is the density of LiSbTe2?
The computed density of the ground-state structure of LiSbTe2 is 5.75 g/cm³.
How many polymorphs of LiSbTe2 are known?
6 structures of LiSbTe2 are reported across 5 databases, spanning 2 distinct space groups.
What elements does LiSbTe2 contain?
LiSbTe2 contains Li, Sb, and Te (3 elements).
Where does the data for LiSbTe2 come from?
LiSbTe2 data is cross-referenced from materials_project, jarvis, oqmd, cod, omat24.
Comparison

How It Compares

Within the phase-change memory materials class.

Within the broad landscape of phase-change materials, LiSbTe2 occupies a specialized niche compared to well-established industry standards like Ge2Sb2Te5 or Sb2Te3. While materials like GeTe are frequently utilized for their rapid switching kinetics, LiSbTe2 provides a distinct structural alternative that expands the design space for phase-change memory, particularly in applications where specific metastable phase transitions are required to improve device endurance.

Explore

Related Compounds

Other Phase-Change Memory Materials in the database.

Data sources & attribution
  • materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
  • jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
  • oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
  • cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
  • omat24 — Data from Meta Open Materials 2024 (OMat24), Meta FAIR. Cite: Barroso-Luque et al., arXiv:2410.12771 (2024). (CC-BY-4.0)

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