Table 1 Summary of optimized bulk lattice parameters.
From: Surface reconstruction limited magnetism of the nodal loop semimetal Ca\(_3\)P\(_2\)
Space group | Hexagonal \(P6_3/mcm\) | |||
|---|---|---|---|---|
Lattice constants (Å) | ||||
a | 8.29415 | |||
c | 6.70378 | |||
Atomic coordinates (fractional units) | Site symmetry | \(\textbf{a}_1\) | \(\textbf{a}_2\) | \(\textbf{a}_3\) |
|---|---|---|---|---|
Ca, spacer layer | 4d | 1/3 | 2/3 | 0 |
Ca, common layer | 6g | 0.255653 | 0 | 1/4 |
P, common layer | 6g | 0.609573 | 0 | 1/4 |
