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9:20 AM
posted on March 26, 2023 by robinzyb

Dear all, How does the Material Project determine whether a material has been experimentally observed? Is this based on the matched ICSD number? If so, for example, why dose zincblend GaN show that it is not experimentally observed. mp-830 (GaN) has the Zincblende structure which is experimentally observed and was present in many papers. In addition, it has multiple matched ICSD

 
 
2 hours later…
11:30 AM
posted on March 26, 2023 by Amal1

search_results = mpr.summary.search(formula=“ABC”, fields=[“structure”, “formation_energy_per_atom”,“composition”]) i need this as a dataframe in which structure ,formation_energy_per_atom,composition are columns , so that i can featurize, search_results=pd.DataFrame(search_results) is giving be columns with 0,1,2 and structure [ ] ,and and compositon as rows, other methods are

 

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