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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 26-50 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)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_number
Maximum stress on unit cell (smax)
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
26
C
60
H
36
8000.000
27
C
60
H
36
8000.000
28
C
60
H
36
8000.000
29
C
60
H
36
8000.000
30
C
60
H
36
8000.000
31
C
60
H
36
8000.000
32
C
60
H
36
8000.000
33
C
60
H
36
8000.000
34
C
60
H
36
8000.000
35
C
60
H
36
8000.000
36
C
60
H
36
8000.000
37
C
60
H
36
8000.000
38
C
60
H
36
8000.000
39
C
60
H
36
8000.000
40
C
60
H
36
8000.000
41
C
60
H
36
8000.000
42
C
60
H
36
8000.000
43
C
60
H
36
8000.000
44
C
60
H
36
8000.000
45
C
60
H
36
8000.000
46
C
60
H
36
8000.000
47
C
60
H
36
8000.000
48
C
60
H
36
8000.000
49
C
60
H
36
8000.000
50
C
60
H
36
8000.000
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