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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 1-25 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
✕
1
C
60
H
24
mse-gucc
58M
2
C
60
H
24
mse-gucc
58M
3
C
60
H
24
mse-gucc
58M
4
C
60
H
24
mse-gucc
58M
5
C
60
H
24
mse-gucc
58M
6
C
60
H
24
mse-gucc
58M
7
C
60
H
24
mse-gucc
58M
8
C
60
H
24
mse-gucc
58M
9
C
60
H
24
mse-gucc
58M
10
C
60
H
24
mse-gucc
58M
11
C
60
H
24
mse-gucc
58M
12
C
60
H
24
mse-gucc
58M
13
C
60
H
24
mse-gucc
58M
14
C
60
H
24
mse-gucc
58M
15
C
60
H
24
mse-gucc
58M
16
C
60
H
24
mse-gucc
58M
17
C
60
H
24
mse-gucc
58M
18
C
60
H
24
mse-gucc
58M
19
C
60
H
24
mse-gucc
58M
20
C
60
H
24
mse-gucc
58M
21
C
60
H
24
mse-gucc
58M
22
C
60
H
24
mse-gucc
58M
23
C
60
H
24
mse-gucc
58M
24
C
60
H
24
mse-gucc
58M
25
C
60
H
24
mse-gucc
58M
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