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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 51-75 out of 414
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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
✕
Username
✕
Age
✕
51
C
60
H
18
mse-gucc
53M
52
C
60
H
18
mse-gucc
53M
53
C
60
H
18
mse-gucc
53M
54
C
60
H
18
mse-gucc
53M
55
C
60
H
18
mse-gucc
53M
56
C
60
H
18
mse-gucc
53M
57
C
60
H
18
mse-gucc
53M
58
C
60
H
18
mse-gucc
53M
59
C
60
H
18
mse-gucc
53M
60
C
60
H
18
mse-gucc
53M
61
C
60
H
18
mse-gucc
53M
62
C
60
H
18
mse-gucc
53M
63
C
60
H
18
mse-gucc
53M
64
C
60
H
18
mse-gucc
53M
65
C
60
H
18
mse-gucc
53M
66
C
60
H
18
mse-gucc
53M
67
C
60
H
18
mse-gucc
53M
68
C
60
H
18
mse-gucc
53M
69
C
60
H
18
mse-gucc
53M
70
C
60
H
18
mse-gucc
53M
71
C
60
H
18
mse-gucc
53M
72
C
60
H
18
mse-gucc
53M
73
C
60
H
18
mse-gucc
53M
74
C
60
H
18
mse-gucc
53M
75
C
60
H
18
mse-gucc
53M
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