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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 101-125 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)
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
✕
Mass
✕
Age
✕
101
C
60
H
24
mse-gucc
744.852
53M
102
C
60
H
24
mse-gucc
744.852
53M
103
C
60
H
24
mse-gucc
744.852
53M
104
C
60
H
24
mse-gucc
744.852
53M
105
C
60
H
24
mse-gucc
744.852
53M
106
C
60
H
24
mse-gucc
744.852
53M
107
C
60
H
24
mse-gucc
744.852
53M
108
C
60
H
24
mse-gucc
744.852
53M
109
C
60
H
24
mse-gucc
744.852
53M
110
C
60
H
24
mse-gucc
744.852
53M
111
C
60
H
24
mse-gucc
744.852
53M
112
C
60
H
24
mse-gucc
744.852
53M
113
C
60
H
24
mse-gucc
744.852
53M
114
C
60
H
24
mse-gucc
744.852
53M
115
C
60
H
24
mse-gucc
744.852
53M
116
C
60
H
24
mse-gucc
744.852
53M
117
C
60
H
24
mse-gucc
744.852
53M
118
C
60
H
24
mse-gucc
744.852
53M
119
C
60
H
24
mse-gucc
744.852
53M
120
C
60
H
24
mse-gucc
744.852
53M
121
C
60
H
24
mse-gucc
744.852
53M
122
C
60
H
24
mse-gucc
744.852
53M
123
C
60
H
24
mse-gucc
744.852
53M
124
C
60
H
24
mse-gucc
744.852
53M
125
C
60
H
24
mse-gucc
744.852
53M
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