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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 226-250 out of 2180
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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
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Maximum stress
✕
Username
✕
226
C
60
H
24
0.000
mse-gucc
227
C
60
H
24
0.000
mse-gucc
228
C
60
H
24
0.000
mse-gucc
229
C
60
H
24
0.000
mse-gucc
230
C
60
H
24
0.000
mse-gucc
231
C
60
H
24
0.000
mse-gucc
232
C
60
H
24
0.000
mse-gucc
233
C
60
H
24
0.000
mse-gucc
234
C
60
H
24
0.000
mse-gucc
235
C
60
H
24
0.001
mse-gucc
236
C
60
H
24
0.000
mse-gucc
237
C
60
H
24
0.000
mse-gucc
238
C
60
H
24
0.000
mse-gucc
239
C
60
H
24
0.000
mse-gucc
240
C
60
H
24
0.000
mse-gucc
241
C
60
H
24
0.000
mse-gucc
242
C
60
H
24
0.000
mse-gucc
243
C
60
H
24
0.000
mse-gucc
244
C
60
H
24
0.000
mse-gucc
245
C
60
H
24
0.000
mse-gucc
246
C
60
H
24
0.000
mse-gucc
247
C
60
H
24
0.000
mse-gucc
248
C
60
H
24
0.001
mse-gucc
249
C
60
H
24
0.000
mse-gucc
250
C
60
H
24
0.000
mse-gucc
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