Wide range of indexing techniques exists in the world of relational database. Speed of data insertion & retrieval depends on the type of query and available Indexing mechanism. Prevalent mechanisms lack in terms of spacetime efficiency and simple structure, for real time applications where the database system needs to handle queries like equality search & range search. Even for simple tasks like getting data by ID, a system imposes heavy resource utilization. For example, Applications such as, telephone directory, transaction information details in banking, status about railway reservation etc., backed with relational database system that employs complex structure like B-Tree or B + -Tree. Hence in such cases, instead of those complex structures, if some lighter technique can be used, which can greatly enhance the overall performance in terms of memory
Massive inorganic crystal structure predictions were recently performed. For millions of virtual zeolites or related materials the composition is imposed : SiO2 or AlPO4 etc. For other predicted inorganic compounds the composition was let to be free, but at least chemical elements were selected and some geometrical rules for organizing them were applied (exclusive corner sharing of polyhedra within the GRINSP software [1]). The explosion of the number of predictions justified the creation of new databases. Among them, the PCOD [2] (Predicted Crystallography Open Database) contains the crystal data of predicted titanosilicates, phosphates, vanadates, niobates, fluoroaluminates (etc). These databases open now the possibility for the identification of a newly synthesized compound by the comparison of its experimental powder pattern with predicted ones. The powder patterns calculated from the >100.000 PCOD entries were gathered into the P2D2 (Predicted Powder Diffraction Database) [3-4], allowing for identification by using any classical search-match software. To be successful, identification attempts require mainly accurate predicted cell parameters. Many improvements, by using empirical or ab initio approaches, will be needed in order to restrict the number of structure candidates to those having really a chance to exist (quite a difficult task). Prediction is obviously a large part of our future in crystallography, the P2D2 represents a small new step in that direction.
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