Common geometries (sisl.geom)¶
A variety of default geometries.
Basic¶
sc(alat, atom) |
Simple cubic lattice with 1 atom |
bcc(alat, atom[, orthogonal]) |
Body centered cubic lattice with 1 (non-orthogonal) or 2 atoms (orthogonal) |
fcc(alat, atom[, orthogonal]) |
Face centered cubic lattice with 1 (non-orthogonal) or 2 atoms (orthogonal) |
hcp(a, atom[, coa, orthogonal]) |
Hexagonal closed packed lattice with 2 (non-orthogonal) or 4 atoms (orthogonal) |
diamond([alat, atom]) |
Diamond lattice with 2 atoms in the unitcell |
2D materials¶
honeycomb(bond, atom[, orthogonal]) |
Honeycomb lattice with 2 or 4 atoms per unit-cell, latter orthogonal cell |
graphene([bond, atom, orthogonal]) |
Graphene lattice with 2 or 4 atoms per unit-cell, latter orthogonal cell |
Nanotube¶
nanotube(bond[, atom, chirality]) |
Nanotube with user-defined chirality. |
bcc(alat, atom[, orthogonal]) |
Body centered cubic lattice with 1 (non-orthogonal) or 2 atoms (orthogonal) |
diamond([alat, atom]) |
Diamond lattice with 2 atoms in the unitcell |
fcc(alat, atom[, orthogonal]) |
Face centered cubic lattice with 1 (non-orthogonal) or 2 atoms (orthogonal) |
graphene([bond, atom, orthogonal]) |
Graphene lattice with 2 or 4 atoms per unit-cell, latter orthogonal cell |
hcp(a, atom[, coa, orthogonal]) |
Hexagonal closed packed lattice with 2 (non-orthogonal) or 4 atoms (orthogonal) |
honeycomb(bond, atom[, orthogonal]) |
Honeycomb lattice with 2 or 4 atoms per unit-cell, latter orthogonal cell |
nanotube(bond[, atom, chirality]) |
Nanotube with user-defined chirality. |
sc(alat, atom) |
Simple cubic lattice with 1 atom |