Configuration Set

NequIP-NC-2022-Cu-formate__CS_tgj1j5vv0vkc_0



Name NequIP-NC-2022-Cu-formate
Extended ID NequIP-NC-2022-Cu-formate__CS_tgj1j5vv0vkc_0
Description Cu-formate configurations, Cu <110> undergoing dehydrogenation decomposition, from NequIP-NC-2022 dataset
Elements C (1.92%)
Cu (92.31%)
H (1.92%)
O (3.85%)
Number of Configurations 6,823
Number of Atoms 354,796
Configurations
Datasets DS_sipksdvyrxsf_0
ColabFit ID CS_tgj1j5vv0vkc_0
Files colabfitspec.json

No uploaded content is transferred in ownership from the original creators to ColabFit. All content is distributed under the license specified by its contributor who has stated that he or she has the authority to share it under the specified license.