ASE database

Displaying rows 76-31 out of 31
↓ ID ✕ Formula ✕ Calculator ✕ Energy ✕ Volume ✕
76 C60H18 vasp -593.092 7647.030
77 C60H18 vasp -591.502 8000.000
78 C60H18 vasp -591.422 8000.000
79 C60H18 vasp -595.896 4460.351
80 C60H18 vasp -592.609 6489.651
81 C60H18 vasp -593.856 7194.553
82 C60H18 vasp -595.938 4737.470
83 C60H18 vasp -591.549 7734.188
84 C60H18 vasp -596.450 8000.000
85 C60H18 vasp -596.376 8000.000
86 C60H18 vasp -584.608 8000.000
87 C60H18 vasp -585.585 5779.407
88 C60H18 vasp -595.464 6958.384
89 C60H18 vasp -593.226 5132.158
90 C60H18 vasp -592.500 6187.233
91 C60H18 vasp -592.846 5553.211
92 C60H18 vasp -591.831 6867.605
93 C60H18 vasp -591.313 8000.000
94 C60H18 vasp -592.214 4925.757
95 C60H18 vasp -596.062 8000.000
96 C60H18 vasp -595.935 8000.000
97 C60H18 vasp -594.593 7004.397
98 C60H18 vasp -592.310 8000.000
99 C60H18 vasp -595.720 6119.199
100 C60H18 vasp -593.086 3833.608