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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 501-414 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)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_num
Maximum stress on unit cell (smax)
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
501
C
60
H
36
8000.000
502
C
60
H
36
8000.000
503
C
60
H
36
8000.000
504
C
60
H
36
8000.000
505
C
60
H
36
8000.000
506
C
60
H
36
8000.000
507
C
60
H
36
8000.000
508
C
60
H
36
8000.000
509
C
60
H
36
8000.000
510
C
60
H
36
8000.000
511
C
60
H
36
8000.000
512
C
60
H
36
8000.000
513
C
60
H
36
8000.000
514
C
60
H
36
8000.000
515
C
60
H
36
8000.000
516
C
60
H
36
8000.000
517
C
60
H
36
8000.000
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