A summary of the constructed point group graph object is given below ==================================================================== ---------------------- Input crystal symmetry ---------------------- Unit cell: (30.0, 30.0, 45.0, 90.0, 90.0, 120.00000000000001) Unit cell volume: 35074.0288533 Space group: P 3 -------------------------- Lattice symmetry deduction -------------------------- Niggli cell: (29.999999999999993, 29.999999999999993, 45.0, 90.0, 90.0, 120.00000000000001) Niggli cell volume: 35074.0288533 Niggli transformed input symmetry: P 3 Symmetry of Niggli cell: P 6 2 2 All pointgroups that are both a subgroup of the lattice symmetry and a supergroup of the Niggli transformed input symmetry wil now be listed, as well as their minimal supergroups/maximal subgroups and symmetry operators that generate them. For each pointgroup, a list of compatible spacegroups will be listed. Care is taken that there are no sysmetatic absence violation with the provided input spacegroup. ------------------------ Vertices and their edges ------------------------ Point group P 3 is a maximal subgroup of : * P 3 1 2 * P 6 * P 3 2 1 Point group P 6 2 2 is a maximal subgroup of : * None Point group P 3 2 1 is a maximal subgroup of : * P 6 2 2 Point group P 6 is a maximal subgroup of : * P 6 2 2 Point group P 3 1 2 is a maximal subgroup of : * P 6 2 2 ------------------------- Transforming point groups ------------------------- From P 3 to P 3 2 1 using : * -h-k,k,-l From P 3 to P 6 using : * -h,-k,l From P 3 to P 3 1 2 using : * h+k,-k,-l From P 3 2 1 to P 6 2 2 using : * -h,-k,l From P 6 to P 6 2 2 using : * -h-k,k,-l From P 3 1 2 to P 6 2 2 using : * -h-k,k,-l ---------------------- Compatible spacegroups ---------------------- Spacegroups compatible with a specified point group **and** with the systematic absenses specified by the input space group, are listed below. Spacegroup candidates in point group P 3: * P 3 30.00 30.00 45.00 90.00 90.00 120.00 * P 31 30.00 30.00 45.00 90.00 90.00 120.00 * P 32 30.00 30.00 45.00 90.00 90.00 120.00 Spacegroup candidates in point group P 6 2 2: * P 6 2 2 30.00 30.00 45.00 90.00 90.00 120.00 * P 61 2 2 30.00 30.00 45.00 90.00 90.00 120.00 * P 65 2 2 30.00 30.00 45.00 90.00 90.00 120.00 * P 62 2 2 30.00 30.00 45.00 90.00 90.00 120.00 * P 64 2 2 30.00 30.00 45.00 90.00 90.00 120.00 * P 63 2 2 30.00 30.00 45.00 90.00 90.00 120.00 Spacegroup candidates in point group P 3 2 1: * P 3 2 1 30.00 30.00 45.00 90.00 90.00 120.00 * P 31 2 1 30.00 30.00 45.00 90.00 90.00 120.00 * P 32 2 1 30.00 30.00 45.00 90.00 90.00 120.00 Spacegroup candidates in point group P 6: * P 6 30.00 30.00 45.00 90.00 90.00 120.00 * P 61 30.00 30.00 45.00 90.00 90.00 120.00 * P 65 30.00 30.00 45.00 90.00 90.00 120.00 * P 62 30.00 30.00 45.00 90.00 90.00 120.00 * P 64 30.00 30.00 45.00 90.00 90.00 120.00 * P 63 30.00 30.00 45.00 90.00 90.00 120.00 Spacegroup candidates in point group P 3 1 2: * P 3 1 2 30.00 30.00 45.00 90.00 90.00 120.00 * P 31 1 2 30.00 30.00 45.00 90.00 90.00 120.00 * P 32 1 2 30.00 30.00 45.00 90.00 90.00 120.00 A file named p3andup.png contains a graphical representation of the point group relations.