2DMatPedia

Official Resources

• Homepage: http://www.2dmatpedia.org/
• Documentation: http://www.2dmatpedia.org/
• Source Repository: Data available online
• License: Open Access

Overview

2DMatPedia is a large-scale database of 2D materials generated by exfoliating bulk materials from the Materials Project. It performs high-throughput DFT calculations to identify stable 2D layers and calculate their properties.

Scientific domain: 2D materials, high-throughput screening
Target user community: 2D materials researchers

Capabilities (CRITICAL)

• Database: >6000 2D materials.
• Structure: Top-down exfoliation approach.
• Properties: Band gaps, formation energies, cleavage energies.
• Visualization: Structure viewer.

Sources: 2DMatPedia website, Sci. Data 6, 86 (2019)

Inputs & Outputs

• Input formats: Web search
• Output data types: POSCAR files, property tables

Interfaces & Ecosystem

• Materials Project: Source of bulk structures.
• VASP: Calculation engine.

Workflow and Usage

1. Search website for materials.
2. Download structures.

Performance Characteristics

• Large number of materials
• Standard DFT (PBE) level of theory

Application Areas

• 2D materials discovery
• Screening for functional layers

Community and Support

• Developed by Yang Group (SUTD/NUS)
• Static database

Verification & Sources

Primary sources:

1. Homepage: http://www.2dmatpedia.org/
2. Publication: J. Zhou et al., Sci. Data 6, 86 (2019)

Confidence: VERIFIED

Verification status: ✅ VERIFIED

• Website: ACTIVE
• Documentation: AVAILABLE
• Source: OPEN ACCESS (Data)
• Development: COMPLETED
• Applications: 2D materials database