Published April 1, 2024 | Version v1
Data paper Open

Suplementary data for Archicarbons: New carbon allotropes build from circular arches of carbon atoms as building block

Creators

  • 1. Instituto de Química, Universidade Federal do Rio de Janeiro, Av. Athos da, Silveira Ramos, 149, CT, A-629, Cid. Univ., Rio de Janeiro, 21941-909, RJ, Brazil.

Description

The files in this repository compose the supporting data for the paper "Archicarbons: New carbon allotropes build from circular arches of carbon atoms as building block". This dataset contains the optimized geometries and band dispersion diagram calculations for all the molecules/materials introduced in the paper.

Files

BandDiagrams.zip

Files (21.7 MB)

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md5:36e183c2941eed173e1716db889df3cb
20.9 MB Preview Download
md5:300c8ce1a8582c5b94f2788b5971c411
799.1 kB Preview Download

Additional details

Dates

Submitted
2024-04-01
Supporting Data