相关数据集
msb-roshan/1625_aa
--- dataset_info: features: - name: cleavage dtype: int64 - name: SMILES dtype: string splits: - name: random_0_train num_bytes: 218650 num_examples: 1300 - name: random_0_
Hugging Face2023-07-03 更新570
Oxyhalides in the Ba-Fe-O-X system(X=Cl, F)
we have explored the stability of oxy-halides in the Ba-Fe-O-X system (X=F, Cl). In this sense, we have prepared four samples in the BaFeClxOy system. Depending on the halogen...
B2FIND60
CCDC 1053976: Experimental Crystal Structure Determination
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited data
Mendeley Data2024-06-25 更新60
XIAM_FITS.zip
3) 'XIAM_FITS.zip' contains all XIAM-2NQ input and output files. The XIAM-2NQ source code and a compiled executable are available on the https://github.com/SvenHerbers/XIAM-2NQ
DataCite Commons2025-06-16 更新60
CCDC 1969470: Experimental Crystal Structure Determination
Related Article: Maria-Gabriela Alexandru, Diana Visinescu, Beatrice Cula, Sergiu Shova, Renato Rabelo, Nicolás Moliner, Francesc Lloret, Joan Cano, Miguel Julve|2021|Dalton Trans.|50|14640|doi:10.103
Mendeley Data2024-06-25 更新60
