Ensuring national food security amidst ongoing economic development whilst both protecting the environment and reducing the dependence on fossil fuels are significant challenges for Chinese sustainable development. The main objectives of this study were to reveal irrigated crop (wheat, maize, and sunflower) performance in terms of energy, economic, and environmental aspects in China's largest designed irrigation area, Hetao irrigation district (HID), and to evaluate agricultural suitability based on plant structure. An integrated indicator and comprehensively assessment method were used to evaluate the above objectives based on the results from in-person surveys. The results show that maize exhibits the best overall performance compared to two other major crops (wheat and sunflower), which supports the government policy of adjust and optimize the planting structure program (AOPST), an effective way to achieve the multiple-objectives for sustainable agricultural development. However, reducing fertilizer remains a more critical factor than AOPST. These study results provide useful guidance for policy-makers and relevant stake-holders both in a regional context for the HID and at the global agricultural governance and management level.