12 stable and 9 unstable predicted structures were randomly chosen to optimize using DFT calculations. We then define a specific set of rules to determine whether a generated structure is validated as correct. Only if the change in fractional coordinates of each site is less than 1% is a structure regarded accurately predicted. The structure should be accurately predicted, and the formation energy should be negative for a correct stable structure. When the formation energy of a structure is positive and the structure is properly predicted, it is said to be unstable.