  Predicting and characterizing the crystal structure of materials is a key
problem in materials research and development. We report the results of ab
initio LDA/GGA computations for the following systems: AgAu, AgCd, AgMg, AgMo*,
AgNa, AgNb*, AgPd, AgRh*, AgRu*, AgTc*, AgTi, AgY, AgZr, AlSc, AuCd, AuMo*,
AuNb, AuPd, AuPt*, AuRh*, AuRu*, AuSc, AuTc*, AuTi, AuY, AuZr, CdMo*, CdNb*,
CdPd, CdPt, CdRh, CdRu*, CdTc*, CdTi, CdY, CdZr, CrMg*, MoNb, MoPd, MoPt, MoRh,
MoRu, MoTc*, MoTi, MoY*, MoZr, NbPd, NbPt, NbRh, NbRu, NbTc, NbY*, NbZr*, PdPt,
PdRh*, PdRu*, PdTc, PdTi, PdY, PdZr, PtRh, PtRu, PtY, PtTc, PtTi, PtZr, RhRu,
RhTc, RhTi, RhY, RhZr, RuTi, RuTc, RuY, RuZr, TcTi, TcY, TcZr, TiZr*, YZr* (*=
systems in which the ab initio method predicts that no compounds are stable). A
detailed comparison to experimental data confirms the high accuracy with which
ab initio methods can predict ground states.
  Keywords: Binary Alloys, Ab initio, Intermetallics, Transition Metals,
StructureAluminum, Cadmium, Gold, Magnesium, Molybdenum, Niobium, Palladium,
Platinum, Rhodium, Ruthenium, Scandium, Silver, Sodium, Titanium, Technetium,
Yttrium, Zirconium.
