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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 351-375 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)
Periodic boundary conditions (pbc)
perms_num
Maximum stress on unit cell (smax)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
ID
✕
Formula
✕
Username
✕
Number of atoms
✕
351
C
60
H
18
mse-gucc
78
352
C
60
H
18
mse-gucc
78
353
C
60
H
18
mse-gucc
78
354
C
60
H
18
mse-gucc
78
355
C
60
H
18
mse-gucc
78
356
C
60
H
18
mse-gucc
78
357
C
60
H
18
mse-gucc
78
358
C
60
H
18
mse-gucc
78
359
C
60
H
18
mse-gucc
78
360
C
60
H
18
mse-gucc
78
361
C
60
H
18
mse-gucc
78
362
C
60
H
18
mse-gucc
78
363
C
60
H
18
mse-gucc
78
364
C
60
H
18
mse-gucc
78
365
C
60
H
18
mse-gucc
78
366
C
60
H
18
mse-gucc
78
367
C
60
H
18
mse-gucc
78
368
C
60
H
18
mse-gucc
78
369
C
60
H
18
mse-gucc
78
370
C
60
H
18
mse-gucc
78
371
C
60
H
18
mse-gucc
78
372
C
60
H
18
mse-gucc
78
373
C
60
H
18
mse-gucc
78
374
C
60
H
18
mse-gucc
78
375
C
60
H
18
mse-gucc
78
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