Materials Databases towards World Materials Database leading to Data-Intensive Materials Discovery through Data Exploration

摘要

@@ Present Situation It is a fact that materials development/discovery is and will remain a key-point in our modern society. Chemists, physicists, materials scientists, and engineers have/are/will accumulated/ing/e gigantic amounts of materials data, but still in electronically not easily retrievable format During the last 30 years several colleagues and I, as editor or editor-in-chief, have been heavily involved in the creation of the following in its field's 'world-largest1 materials databases. We list them below: - Pauling File (LPF) Binaries Edition (about lOO'OOO data-sets, CD-ROM) [1] - NIMS online version of the Pauling File (about 200'000 data-sets) [2] - Pearson's Crystal Data, a crystal structure database for inorganic compounds, metals and alloys (about 200'000 data-sets on CD-ROM) [3] - ASM's Alloy Phase Diagram Center, an online phase diagram compilation (about 34'000 phase binary and ternary diagrams) [4] - Atomic coordinates to ICDD's phase-identification file PDF-4+ (about 140'000 data-sets on CD-ROM) [5] - Landolt-Bdrnstein, Series III, volume 43, sub-volumes A1-A10, Crystal Structures of Inorganic Compounds, Springer, Heidelberg, Germany (about 10'000 prototypes) [6] - Springer Materials Online containing under the same platform Landolt-Bdrnstein Series III (equal to about 130 sub-volumes at 500 pages) and LPF Multinaries Edition containing about 400'000 data-sets [7].