Structure:
-
Number of sites: {{ calculation.nsites }}
-
Number of elements: {{ calculation.nelements }}
-
Element list: {{ calculation.elements }}
-
Chemical System: {{ calculation.chemical_system }}
-
Density: {{ calculation.density }}
-
Atomic Density: {{ calculation.density_atomic }}
-
Unit Cell Volume: {{ calculation.volume }}
-
Molar Volume: {{ calculation.volume_molar }}
-
Full Formula: {{ calculation.formula_full }}
-
Reduced Formula: {{ calculation.formula_reduced }}
-
Formula Anonymous: {{ calculation.formula_anonymous }}
-
Spacegroup Number: {{ calculation.spacegroup.number }}
-
Spacegroup Symbol: {{ calculation.spacegroup.symbol }}
-
Crystal System: {{ calculation.spacegroup.crystal_system }}
-
Pointgroup: {{ calculation.spacegroup.point_group }}