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This notebook predicts the three lattice constants of the Perovskite compound. Here, the anion is the Oxygen atom. The feature vector is composed of the atomic radii of two cations and the Goldschmidt tolerance factor.

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Pratha-Me/ML-DNN-Perovskite-lattice-constant-prediction

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ML-ANN-Perovskite-lattice-constant-prediction

The notebook can be opened in google colab or kaggle. Or jupyter-lab would be a good option as well. I have performed a regression ML task using artificial neural networks to obtain the lattice constant of the Perovskite (ABO3) group of compound.

The mean absolute error of the model is around 0.05. I also performed a GridSearch for three hyperparamters namely, learning rate, number of hidden layers and number of neurons per layer.

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This notebook predicts the three lattice constants of the Perovskite compound. Here, the anion is the Oxygen atom. The feature vector is composed of the atomic radii of two cations and the Goldschmidt tolerance factor.

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