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/main
Number of structures: 50,722
Detailed information
/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
Databases served by this provider
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2D topological insulators (
2dtopo)https://aiida.materialscloud.org/2dtopo/optimade
Quantum spin Hall insulator (QSHI) candidates through DFT band structure calculations.Properties served by this database:
By entry type (click to expand):-
structures
- The full list of standard OPTIMADE properties.
-
_mcloud_ctime
Description: Creation time of the Node in the AiiDA database.
Type: timestamp
Validation
ValidationResults of validation Passed 38 / 38
No errors reported.
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CURATED covalent organic frameworks database (
curated-cofs)https://aiida.materialscloud.org/curated-cofs/optimade
Database of experimentally reported Covalent-Organic Frameworks (COFs), provided with DFT-optimized geometry and DDEC partial charges for molecular simulations.Properties served by this database:
By entry type (click to expand):-
structures
- The full list of standard OPTIMADE properties.
-
_mcloud_ctime
Description: Creation time of the Node in the AiiDA database.
Type: timestamp
Validation
ValidationResults of validation Passed 38 / 38
No errors reported.
-
-
MC2D - Materials Cloud two-dimensional crystals database (
mc2d)https://aiida.materialscloud.org/mc2d/optimade
Two-dimensional (2D) materials from high-throughput computational exfoliation of experimentally known compounds.Properties served by this database:
By entry type (click to expand):-
structures
- The full list of standard OPTIMADE properties.
-
_mcloud_ctime
Description: Creation time of the Node in the AiiDA database.
Type: timestamp
Validation
ValidationResults of validation Passed 38 / 38
No errors reported.
-
-
MC3D - Materials Cloud three-dimensional crystals database (
mc3d)https://aiida.materialscloud.org/mc3d/optimade
Curated set of relaxed three-dimensional crystal structures based on raw CIF data from the experimantal databases MPDS, COD, and ICSD.Properties served by this database:
By entry type (click to expand):-
structures
- The full list of standard OPTIMADE properties.
-
_mcloud_ctime
Description: Creation time of the Node in the AiiDA database.
Type: timestamp
Validation
ValidationResults of validation Passed 38 / 38
No errors reported.
-
-
OPTIMADE Sample Database (
optimade-sample)https://aiida.materialscloud.org/optimade-sample/optimade
Database with example structures for OPTIMADE tests.Properties served by this database:
By entry type (click to expand):Validation
Aggregation is discouraged for this databaseResults of validation test
No errors reported.
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Pyrene-based metal organic frameworks (
pyrene-mofs)https://aiida.materialscloud.org/pyrene-mofs/optimade
Pyrene Metal Organic Frameworks (MOFs).Properties served by this database:
By entry type (click to expand):-
structures
- The full list of standard OPTIMADE properties.
-
_mcloud_ctime
Description: Creation time of the Node in the AiiDA database.
Type: timestamp
Validation
ValidationResults of validation Passed 38 / 38
No errors reported.
-
-
Automated high-throughput Wannierisation (
scdm)https://aiida.materialscloud.org/autowannier/optimade
Validation results of an automated protocol for generating maximally-localized Wannier functions in a high-throughput framework.Properties served by this database:
By entry type (click to expand):-
structures
- The full list of standard OPTIMADE properties.
-
_mcloud_ctime
Description: Creation time of the Node in the AiiDA database.
Type: timestamp
Validation
ValidationResults of validation Passed 38 / 38
No errors reported.
-
-
SrTiO3-CeO2 interfaces (
stoceriaitf)https://aiida.materialscloud.org/stoceriaitf/optimade
Refining random structure searching results of SrTiO3-CeO2 interfaces, and exploring how it can affect ionic conduction. Candidate structures of the DFT validation calculations.Properties served by this database:
By entry type (click to expand):-
structures
- The full list of standard OPTIMADE properties.
-
_mcloud_ctime
Description: Creation time of the Node in the AiiDA database.
Type: timestamp
Validation
ValidationResults of validation Passed 38 / 38
No errors reported.
-
-
Applicability of tail-corrections in the molecular simulations of porous materials (
tc-applicability)https://aiida.materialscloud.org/tc-applicability/optimade
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)).Properties served by this database:
By entry type (click to expand):-
structures
- The full list of standard OPTIMADE properties.
-
_mcloud_ctime
Description: Creation time of the Node in the AiiDA database.
Type: timestamp
Validation
ValidationResults of validation Passed 38 / 38
No errors reported.
-
-
Hidden spontaneous polarisation in the chalcohalide photovoltaic Sn2SbS2I3 (
tin-antimony-sulfoiodide)https://aiida.materialscloud.org/tin-antimony-sulfoiodide/optimade
Structural, dynamic and electronic characterisation of a novel mixed-metal chalcohalide revealing hidden symmetry breaking and spontaneous polarisation.Properties served by this database:
By entry type (click to expand):-
structures
- The full list of standard OPTIMADE properties.
-
_mcloud_ctime
Description: Creation time of the Node in the AiiDA database.
Type: timestamp
Validation
ValidationResults of validation Passed 38 / 38
No errors reported.
-