Enthalpy predictor

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Enthalpy Predictor for BN

Choose POSCAR:

Content of uploaded POSCAR:

  
                    

                
                    
Calculated formation enthalpy by MBTR: 
  
                    
  
                      
  
                    
       
                 
             



            

          

        

      

    

  



  

    

      
 References: 

    


   

        
 
             
                Z. Y. Zheng, T. F. Xu, D. Legut, and R. F. Zhang*. High-throughput informed machine learning models for ultrastrong B-N solids, Computational Materials Science 215, 111789 (2022).