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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 176-200 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)
Maximum stress on unit cell (smax)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
perms_num
✕
Username
✕
176
C
60
H
24
6
mse-gucc
177
C
60
H
24
6
mse-gucc
178
C
60
H
24
6
mse-gucc
179
C
60
H
24
6
mse-gucc
180
C
60
H
24
6
mse-gucc
181
C
60
H
24
6
mse-gucc
182
C
60
H
24
6
mse-gucc
183
C
60
H
24
6
mse-gucc
184
C
60
H
24
6
mse-gucc
185
C
60
H
24
6
mse-gucc
186
C
60
H
24
6
mse-gucc
187
C
60
H
24
12
mse-gucc
188
C
60
H
24
6
mse-gucc
189
C
60
H
24
6
mse-gucc
190
C
60
H
24
6
mse-gucc
191
C
60
H
24
6
mse-gucc
192
C
60
H
24
6
mse-gucc
193
C
60
H
24
6
mse-gucc
194
C
60
H
24
6
mse-gucc
195
C
60
H
24
6
mse-gucc
196
C
60
H
24
6
mse-gucc
197
C
60
H
24
6
mse-gucc
198
C
60
H
24
6
mse-gucc
199
C
60
H
24
6
mse-gucc
200
C
60
H
24
6
mse-gucc
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