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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)
Periodic boundary conditions (pbc)
perms_num
Maximum stress on unit cell (smax)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Number of atoms
✕
Username
✕
Volume
✕
276
C
60
H
18
78
mse-gucc
8000.000
277
C
60
H
18
78
mse-gucc
8000.000
278
C
60
H
18
78
mse-gucc
8000.000
279
C
60
H
18
78
mse-gucc
8000.000
280
C
60
H
18
78
mse-gucc
8000.000
281
C
60
H
18
78
mse-gucc
8000.000
282
C
60
H
18
78
mse-gucc
8000.000
283
C
60
H
18
78
mse-gucc
8000.000
284
C
60
H
18
78
mse-gucc
8000.000
285
C
60
H
18
78
mse-gucc
8000.000
286
C
60
H
18
78
mse-gucc
8000.000
287
C
60
H
18
78
mse-gucc
8000.000
288
C
60
H
18
78
mse-gucc
8000.000
289
C
60
H
18
78
mse-gucc
8000.000
290
C
60
H
18
78
mse-gucc
8000.000
291
C
60
H
18
78
mse-gucc
8000.000
292
C
60
H
18
78
mse-gucc
8000.000
293
C
60
H
18
78
mse-gucc
8000.000
294
C
60
H
18
78
mse-gucc
8000.000
295
C
60
H
18
78
mse-gucc
8000.000
296
C
60
H
18
78
mse-gucc
8000.000
297
C
60
H
18
78
mse-gucc
8000.000
298
C
60
H
18
78
mse-gucc
8000.000
299
C
60
H
18
78
mse-gucc
8000.000
300
C
60
H
18
78
mse-gucc
8000.000
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