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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 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)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
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ID
✕
Formula
✕
Username
✕
Number of atoms
✕
351
C
60
H
24
mse-gucc
84
352
C
60
H
24
mse-gucc
84
353
C
60
H
24
mse-gucc
84
354
C
60
H
24
mse-gucc
84
355
C
60
H
24
mse-gucc
84
356
C
60
H
24
mse-gucc
84
357
C
60
H
24
mse-gucc
84
358
C
60
H
24
mse-gucc
84
359
C
60
H
24
mse-gucc
84
360
C
60
H
24
mse-gucc
84
361
C
60
H
24
mse-gucc
84
362
C
60
H
24
mse-gucc
84
363
C
60
H
24
mse-gucc
84
364
C
60
H
24
mse-gucc
84
365
C
60
H
24
mse-gucc
84
366
C
60
H
24
mse-gucc
84
367
C
60
H
24
mse-gucc
84
368
C
60
H
24
mse-gucc
84
369
C
60
H
24
mse-gucc
84
370
C
60
H
24
mse-gucc
84
371
C
60
H
24
mse-gucc
84
372
C
60
H
24
mse-gucc
84
373
C
60
H
24
mse-gucc
84
374
C
60
H
24
mse-gucc
84
375
C
60
H
24
mse-gucc
84
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