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Predicting Various Material Properties of Select 4d Perovskite material using Crystal Graphs and Convolutional Neural Networks

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Predicting Various Material Properties of Select 4d Perovskite material using Crystal Graphs and Convolutional Neural Networks

#The select Materials that we shall predict there properties are

SrYO3 SrZrO3 SrNbO3 SrMoO3 SrTcO3 SrRuO3 SrRhO3 SrPdO3 SrAgO3 SrCdO3 SrHfO3 SrIrO3 SrPtO3 SrAuO3 SrHgO3

The Crystal Graph Convolutional Neural Network Concept was from the refrence below

@article{PhysRevLett.120.145301, title = {Crystal Graph Convolutional Neural Networks for an Accurate and Interpretable Prediction of Material Properties}, author = {Xie, Tian and Grossman, Jeffrey C.}, journal = {Phys. Rev. Lett.}, volume = {120}, issue = {14}, pages = {145301}, numpages = {6}, year = {2018}, month = {Apr}, publisher = {American Physical Society}, doi = {10.1103/PhysRevLett.120.145301}, url = {https://link.aps.org/doi/10.1103/PhysRevLett.120.145301} }

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Predicting Various Material Properties of Select 4d Perovskite material using Crystal Graphs and Convolutional Neural Networks

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