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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 201-225 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
10
25
50
100
200
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ID
✕
Formula
✕
Username
✕
201
C
60
H
18
mse-gucc
202
C
60
H
18
mse-gucc
203
C
60
H
18
mse-gucc
204
C
60
H
18
mse-gucc
205
C
60
H
18
mse-gucc
206
C
60
H
18
mse-gucc
207
C
60
H
18
mse-gucc
208
C
60
H
18
mse-gucc
209
C
60
H
18
mse-gucc
210
C
60
H
18
mse-gucc
211
C
60
H
18
mse-gucc
212
C
60
H
18
mse-gucc
213
C
60
H
18
mse-gucc
214
C
60
H
18
mse-gucc
215
C
60
H
18
mse-gucc
216
C
60
H
18
mse-gucc
217
C
60
H
18
mse-gucc
218
C
60
H
18
mse-gucc
219
C
60
H
18
mse-gucc
220
C
60
H
18
mse-gucc
221
C
60
H
18
mse-gucc
222
C
60
H
18
mse-gucc
223
C
60
H
18
mse-gucc
224
C
60
H
18
mse-gucc
225
C
60
H
18
mse-gucc
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