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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
perms_number
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 501-517 out of 517
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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)
perms_num
Maximum stress on unit cell (smax)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Username
✕
Volume
✕
501
C
60
H
36
mse-gucc
8000.000
502
C
60
H
36
mse-gucc
8000.000
503
C
60
H
36
mse-gucc
8000.000
504
C
60
H
36
mse-gucc
8000.000
505
C
60
H
36
mse-gucc
8000.000
506
C
60
H
36
mse-gucc
8000.000
507
C
60
H
36
mse-gucc
8000.000
508
C
60
H
36
mse-gucc
8000.000
509
C
60
H
36
mse-gucc
8000.000
510
C
60
H
36
mse-gucc
8000.000
511
C
60
H
36
mse-gucc
8000.000
512
C
60
H
36
mse-gucc
8000.000
513
C
60
H
36
mse-gucc
8000.000
514
C
60
H
36
mse-gucc
8000.000
515
C
60
H
36
mse-gucc
8000.000
516
C
60
H
36
mse-gucc
8000.000
517
C
60
H
36
mse-gucc
8000.000
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