Using waste materials in the mixture of building materials is an approach aligned with the circular economy, a viewpoint that creates sustainable building industries, especially in developed countries. This study concentrated on the application of laponite (LAP), fly ash (FA), and bentonite (BENT) materials in the mixture of cement pastes. The first step used experimental practices to examine the metrics of toughness, three-point bending, and compressive strength with different percentages of added LAP, FA, and BENT after the characterization of samples by scanning electron microscopy (SEM) and energy-dispersive X-ray spectroscopy (EDS). The next step entailed assessment of cement paste specifications through some regressive equations obtained by the application of 2D curve fitting and sensitive analysis of additive (FA, LAP, and BENT) fluctuations in the structure of cement paste. The results show that linear polynomial equations are the best for the evaluation of cement paste terms as per different percentages of the additives. The environmental impact assessment (EIA) of nine prepared samples demonstrated that LAP created the safest condition in comparison to others. However, the ordered weighted averaging (OWA) computations applied for the sustainability assessment (SA) of the samples showed that the LAP is the most appropriate option for use in the structure of cement paste. Using experimental analysis and mathematical modeling, the behavior of cement paste interacting with mineral additives is evaluated. Sustainable mixtures are then presented based on EIA.