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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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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
↓
ID
✕
Formula
✕
Age
✕
Username
✕
351
C
60
H
18
52M
mse-gucc
352
C
60
H
18
52M
mse-gucc
353
C
60
H
18
52M
mse-gucc
354
C
60
H
18
52M
mse-gucc
355
C
60
H
18
52M
mse-gucc
356
C
60
H
18
52M
mse-gucc
357
C
60
H
18
52M
mse-gucc
358
C
60
H
18
52M
mse-gucc
359
C
60
H
18
52M
mse-gucc
360
C
60
H
18
52M
mse-gucc
361
C
60
H
18
52M
mse-gucc
362
C
60
H
18
52M
mse-gucc
363
C
60
H
18
52M
mse-gucc
364
C
60
H
18
52M
mse-gucc
365
C
60
H
18
52M
mse-gucc
366
C
60
H
18
52M
mse-gucc
367
C
60
H
18
52M
mse-gucc
368
C
60
H
18
52M
mse-gucc
369
C
60
H
18
52M
mse-gucc
370
C
60
H
18
52M
mse-gucc
371
C
60
H
18
52M
mse-gucc
372
C
60
H
18
52M
mse-gucc
373
C
60
H
18
52M
mse-gucc
374
C
60
H
18
52M
mse-gucc
375
C
60
H
18
52M
mse-gucc
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