Materials Consortia's OPTIMADE list of providers

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OPTIMADE provider "Materials Cloud" (id: mcloud)

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General information

Short description: A platform for Open Science built for seamless sharing of resources in computational materials science

Project homepage: https://www.materialscloud.org

Index Meta-Database URL: https://www.materialscloud.org/optimade

Detailed information

(information checked on Wednesday April 21, 2021 at 05:40 UTC)
Index metaDB (/info)State of the /info endpoint of the index meta-database found found Index metaDB versionVersion of the index meta-database v1 Index metaDB (/links)State of the /links endpoint of the index meta-database found found

Sub-databases provided by the provider

  • 2D Structures (2dstructures)

    Two-dimensional (2D) materials from high-throughput computational exfoliation of experimentally known compounds.
    ValidationResults of validation Passed 36 / 36
  • 2D topological insulators (2dtopo)

    Quantum spin Hall insulator (QSHI) candidates through DFT band structure calculations of a database with 1825 compounds.
    ValidationResults of validation Passed 36 / 36
  • CURATED covalent organic frameworks database (curated-cofs)

    Database of experimentally reported Covalent-Organic Frameworks (COFs), provided with DFT-optimized geometry and DDEC partial charges for molecular simulations.
    ValidationResults of validation Passed 36 / 36
  • Solid-state Li-ion conductors. (li-ion-conductors)

    High-throughput computational screening study for solid-state Li-ion conductors.
    ValidationResults of validation Passed 0 / 0
  • OPTIMADE Sample Database (optimade-sample)

    Database with example structures for OPTIMADE tests.
    ValidationResults of validation Passed 0 / 0
  • Pyrene MOFs (pyrene-mofs)

    Pyrene Metal Organic Frameworks (MOFs).
    ValidationResults of validation Passed 36 / 36
  • Automated high-throughput Wannierisation (scdm)

    Validation results of an automated protocol for generating maximally-localized Wannier functions in a high-throughput framework.
    ValidationResults of validation Passed 36 / 36
  • Standard solid-state pseudopotentials (SSSP) (sssp)

    It contains data generated from the testing protocol of the standard solid-state pseudopotentials library.
    ValidationResults of validation Passed 35 / 36
  • SrTiO3-CeO2 interfaces (stoceriaitf)

    Refining random structure searching results of SrTiO3-CeO2 interfaces, and exploring how it can affect ionic conduction. Candidate structures of the DFT validation calculations.
    ValidationResults of validation Passed 36 / 36
  • Applicability of tail-corrections in the molecular simulations of porous materials (tc-applicability)

    Tail-corrections in molecular simulations for adsorption of gasses in a diverse set of nanoporous crystalline materials (zeolites, Covalent Organic Framworks (COFs), and Metal Organic Frameworks (MOFs)).
    ValidationResults of validation Passed 35 / 36
  • Three-dimensional crystals database (threedd)

    Curated set of relaxed three-dimensional crystal structures based on raw CIF data from the experimantal databases MPDS, COD, and ICSD.
    ValidationResults of validation Passed 36 / 36