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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 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_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
✕
26
C
60
H
18
mse-gucc
27
C
60
H
18
mse-gucc
28
C
60
H
18
mse-gucc
29
C
60
H
18
mse-gucc
30
C
60
H
18
mse-gucc
31
C
60
H
18
mse-gucc
32
C
60
H
18
mse-gucc
33
C
60
H
18
mse-gucc
34
C
60
H
18
mse-gucc
35
C
60
H
18
mse-gucc
36
C
60
H
18
mse-gucc
37
C
60
H
18
mse-gucc
38
C
60
H
18
mse-gucc
39
C
60
H
18
mse-gucc
40
C
60
H
18
mse-gucc
41
C
60
H
18
mse-gucc
42
C
60
H
18
mse-gucc
43
C
60
H
18
mse-gucc
44
C
60
H
18
mse-gucc
45
C
60
H
18
mse-gucc
46
C
60
H
18
mse-gucc
47
C
60
H
18
mse-gucc
48
C
60
H
18
mse-gucc
49
C
60
H
18
mse-gucc
50
C
60
H
18
mse-gucc
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