In forensic dentistry, the analysis of dental diversity forms the basis of probability calculations in dental identification. The present study aimed to contribute to the knowledge of dental diversity in a Spanish military population (considering isolated teeth, sets of different numbers of teeth, and combinations of teeth of forensic interest) and its implications for dental identification. A further aim was to compare the performance of three coding systems (detailed, generic, and binary) to assess dental pattern diversity. Dental diversity of a representative sample of the Spanish military population (3920 individuals aged between 18 and 55 years) was calculated according to a genetic (mitochondrial DNA) model in which diversity was defined as the likelihood that two randomly selected individuals in a sample would exhibit different patterns. By performing all pairwise comparisons of dental patterns in the dataset, the total number of matches was generated, and the diversity of dental patterns was then derived. First and third molars were the teeth that showed the highest levels of diversity, and a high diversity value (>0.99) was obtained with only 5 teeth (16, 36, 38, 46, and 48) when detailed coding was used. In addition, dental diversity in the full dentition and posterior teeth exceeded the threshold of 0.99 in all three coding systems. Although a very high diversity value (≥0.999) was only achieved with detailed coding, it should be noted that the generic coding system requires less time and skill to use, and can also provide high diversity values. Our findings show that further efforts should be made to establish large, periodically updated dental datasets of different populations in order to assess dental pattern diversity (without excluding third molars) based on empirical comparison, and to substantiate the certainty of dental identification.