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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 594
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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
10
25
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200
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ID
✕
Formula
✕
Username
✕
226
C
60
H
24
mse-gucc
227
C
60
H
24
mse-gucc
228
C
60
H
24
mse-gucc
229
C
60
H
24
mse-gucc
230
C
60
H
24
mse-gucc
231
C
60
H
24
mse-gucc
232
C
60
H
24
mse-gucc
233
C
60
H
24
mse-gucc
234
C
60
H
24
mse-gucc
235
C
60
H
24
mse-gucc
236
C
60
H
24
mse-gucc
237
C
60
H
24
mse-gucc
238
C
60
H
24
mse-gucc
239
C
60
H
24
mse-gucc
240
C
60
H
24
mse-gucc
241
C
60
H
24
mse-gucc
242
C
60
H
24
mse-gucc
243
C
60
H
24
mse-gucc
244
C
60
H
24
mse-gucc
245
C
60
H
24
mse-gucc
246
C
60
H
24
mse-gucc
247
C
60
H
24
mse-gucc
248
C
60
H
24
mse-gucc
249
C
60
H
24
mse-gucc
250
C
60
H
24
mse-gucc
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