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MATLAB-code
ASE database
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age
Time since creation
calculator
ASE-calculator name
charge
Net charge in unit cell
|e|
energy
Total energy
eV
fmax
Maximum force
eV/Ang
formula
Chemical formula
id
Uniqe row ID
magmom
Magnetic moment
au
mass
Sum of atomic masses in unit cell
au
natoms
Number of atoms
pbc
Periodic boundary conditions
perms_num
smax
Maximum stress on unit cell
eV/Ang
3
unique_id
Random (unique) ID
user
Username
volume
Volume of unit cell
Ang
3
Displaying rows 151-175 out of 414
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Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_num
Maximum stress on unit cell (smax)
Volume of unit cell (volume)
Rows: 25
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ID
✕
Formula
✕
Username
✕
151
C
60
H
18
mse-gucc
152
C
60
H
18
mse-gucc
153
C
60
H
18
mse-gucc
154
C
60
H
18
mse-gucc
155
C
60
H
18
mse-gucc
156
C
60
H
18
mse-gucc
157
C
60
H
18
mse-gucc
158
C
60
H
18
mse-gucc
159
C
60
H
18
mse-gucc
160
C
60
H
18
mse-gucc
161
C
60
H
18
mse-gucc
162
C
60
H
18
mse-gucc
163
C
60
H
18
mse-gucc
164
C
60
H
18
mse-gucc
165
C
60
H
18
mse-gucc
166
C
60
H
18
mse-gucc
167
C
60
H
18
mse-gucc
168
C
60
H
18
mse-gucc
169
C
60
H
18
mse-gucc
170
C
60
H
18
mse-gucc
171
C
60
H
18
mse-gucc
172
C
60
H
18
mse-gucc
173
C
60
H
18
mse-gucc
174
C
60
H
18
mse-gucc
175
C
60
H
18
mse-gucc
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