Crystalium

An Exploration of the Surfaces and Wulff shapes of the Elements.

142 crystals of 72 elements available.

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{[{ wulff.pretty_formula }]} polymorph #{[{wulff.polymorph}]} ({[{ wulff.material_id}]}, {[{wulff.spacegroup.symbol }]}, Ehull={[{wulff.e_above_hull | number : 3}]} eV/atom)

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Miller indices Area fraction
J/m2 eV/Å2 eV
{[{ surface.is_reconstructed ? '*' : ''}]} {[{ surface.surface_energy | number : 2}]} {[{surface.surface_energy_EV_PER_ANG2 | number : 3}]} {[{surface.work_function | number : 3}]} {[{surface.area_fraction | number : 2 }]} cif

* indicates reconstructured surface.

Help and definitions

Weighted surf. energy = {[{ wulff.weighted_surface_energy |number : 2 }]} J/m2 ( {[{wulff.weighted_surface_energy_EV_PER_ANG2 | number : 3 }]} eV/Å2)
Weighted work function = {[{ wulff.weighted_work_function |number : 2 }]} eV
Shape factor = {[{ wulff.shape_factor | number : 2 }]}
Surf. energy anisotropy = {[{ wulff.surface_anisotropy | number : 3 }]}
H He
Li Be B C N O F Ne
Na Mg Al Si P S Cl Ar
K Ca Sc Ti V Cr Mn Fe Co Ni Cu Zn Ga Ge As Se Br Kr
Rb Sr Y Zr Nb Mo Tc Ru Rh Pd Ag Cd In Sn Sb Te I Xe
Cs Ba Hf Ta W Re Os Ir Pt Au Hg Tl Pb Bi Po At Rn
Fr Ra
La Ce Pr Nd Pm Sm Eu Gd Tb Dy Ho Er Tm Yb Lu
Ac Th Pa U Np Pu Am Cm Bk Cf Es Fm Md No Lr

A collaboration between the Materials Virtual Lab and the Materials Project powered by pymatgen and FireWorks. If you use the data, please cite the following work:
R. Tran, Z. Xu, B. Radhakrishnan, D. Winston, W. Sun, K. A. Persson, S. P. Ong, Surface Energies of Elemental Crystals, Scientific Data, 2016, 3:160080 doi: 10.1038/sdata.2016.80.