Slabs

make_slab(structure, hkl, layers, vacuum, shift) cuts layers spacings of the plane (hkl) and adds vacuum Angstrom above. The surface cell is the plane's own lattice: surface_basis(hkl) returns an integer, right-handed, unimodular basis with the first two rows in the plane and h . v3 = 1.

use xtalforge::core::{make_slab, surface_basis};

let basis = surface_basis([1, 1, 1])?;
let slab = make_slab(&structure, [1, 1, 1], 2, 15.0, 0.0)?;
assert!(slab.structure.is_p1());

The returned Slab carries structure, the reduced hkl, layers, thickness, vacuum and cut. The structure is P1. SLAB_FLOOR keeps the slab a little above the bottom of the cell so atoms on the face are not drawn twice. plane_angle(first, second) returns the angle between two Miller planes.

Status

The atom cut and the surface basis are complete. cut is currently zero: the slab builder does not carry the bonds severed by the cut, so the caller perceives the slab's bonds from the returned structure. The CIF inspector demo downloads the same slabs through the WASM bindings.