Table 4 The prototypes and their symmetries. The prototypes are grouped into the 14 Bravais lattices: triclinic (tri), monoclinic, (mcl), base-centered monoclinic (mclc), orthorhombic (orc), base-centered orthorhombic (orcc), face-centered orthorhombic (orcf), body-centered orthorhombic (orci), tetragonal (tet), body-centered tetragonal (bct), hexagonal (hex), rhombohedral (rhl), simple cubic (cub), face-centered cubic (fcc), and body-centered cubic (bcc).

From: AFLOW-XtalFinder: a reliable choice to identify crystalline prototypes

Lattice type

Prototypes

 

Original

Relaxed

tri

1,345

1,338

mcl

2,266

2,255

mclc

2,165

2,195

orc

2,665

2,493

orcc

1,093

1,158

orcf

167

157

orci

305

292

tet

938

887

bct

861

817

hex

1,720

1,540

rhl

996

911

cub

274

265

fcc

227

211

bcc

183

173