Due to high consumption of energy, its associated concerns such as energy security and demand, wastage of resources, and material-energy recovery are leading to the importance of sustainable energy system development. This is a high time to assess the sustainability in energy systems for meeting the requirements of energy with an enhanced economic, ecological, and social performance from a nation context. The energy system plays a significant role in deciding the economic progress of emerging economies such as India, China, Brazil, and Africa. In this paper, an original attempt has been made to list and evaluate important indicators for sustainability assessment of energy systems development and management in an emerging economy especially India. Firstly, based on the analysis of the extant literature and then followed by expert opinion, potential key sustainability assessment indicators for energy systems development and management were identified. Further, grey based Decision-Making Trial and Evaluation Laboratory technique to understand the causal interactions amongst indicators and segregate them into cause and effect groups, is used. This work can provide useful aids to decision making bodies, sustainability practitioners and business organisations in selective implementation, monitoring and control of sustainable strategies in energy systems development and management and meeting sustainable development goals of clean energy in a nation context.N