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Published April 21, 2023 | Version v1.0.0

Dataset Open

Quantum-Chemical Bonding Database (Unprocessed data : Part 5)

1. Federal Institute for Materials Research and Testing

This dataset is published as part of our publication: A Quantum-Chemical Bonding Database for Solid-State Materials

Refer to mpids.txt to see data related to which compounds are available in the tar file. (mp-xxx refer to Materials Project ID)

Files

mpids.txt

Files (39.4 GB)

Name	Size
mpids.txt md5:d92ed4b9ea0f609f9e1ad674aefc9ff3	1.9 kB	Preview Download
Part5.tar md5:45546e711b34f2da0d1ab97f01c54824	39.4 GB	Download

Additional details

Is supplemented by: Software: 10.5281/zenodo.8172527 (DOI)

200

Views

119

Downloads

Show more details

	All versions	This version
Views	200	200
Downloads	119	119
Data volume	3.0 TB	3.0 TB

More info on how stats are collected....

DOI

Resource type

Dataset

Publisher

Zenodo

Published in

Scientific Data, 10(1), 610, ISSN: 2052-4463, 2023.

Languages

English

License: Creative Commons Attribution 4.0 International

The Creative Commons Attribution license allows re-distribution and re-use of a licensed work on the condition that the creator is appropriately credited. Read more

Technical metadata

Created: April 23, 2023
Modified: April 10, 2024