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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 276-300 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
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200
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ID
✕
Formula
✕
perms_num
✕
Username
✕
276
C
60
H
18
1
mse-gucc
277
C
60
H
18
1
mse-gucc
278
C
60
H
18
1
mse-gucc
279
C
60
H
18
1
mse-gucc
280
C
60
H
18
1
mse-gucc
281
C
60
H
18
1
mse-gucc
282
C
60
H
18
2
mse-gucc
283
C
60
H
18
2
mse-gucc
284
C
60
H
18
1
mse-gucc
285
C
60
H
18
1
mse-gucc
286
C
60
H
18
1
mse-gucc
287
C
60
H
18
1
mse-gucc
288
C
60
H
18
1
mse-gucc
289
C
60
H
18
2
mse-gucc
290
C
60
H
18
1
mse-gucc
291
C
60
H
18
1
mse-gucc
292
C
60
H
18
1
mse-gucc
293
C
60
H
18
2
mse-gucc
294
C
60
H
18
1
mse-gucc
295
C
60
H
18
2
mse-gucc
296
C
60
H
18
1
mse-gucc
297
C
60
H
18
2
mse-gucc
298
C
60
H
18
1
mse-gucc
299
C
60
H
18
1
mse-gucc
300
C
60
H
18
1
mse-gucc
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