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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 76-100 out of 414
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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
✕
76
C
60
H
24
mse-gucc
77
C
60
H
24
mse-gucc
78
C
60
H
24
mse-gucc
79
C
60
H
24
mse-gucc
80
C
60
H
24
mse-gucc
81
C
60
H
24
mse-gucc
82
C
60
H
24
mse-gucc
83
C
60
H
24
mse-gucc
84
C
60
H
24
mse-gucc
85
C
60
H
24
mse-gucc
86
C
60
H
24
mse-gucc
87
C
60
H
24
mse-gucc
88
C
60
H
24
mse-gucc
89
C
60
H
24
mse-gucc
90
C
60
H
24
mse-gucc
91
C
60
H
24
mse-gucc
92
C
60
H
24
mse-gucc
93
C
60
H
24
mse-gucc
94
C
60
H
24
mse-gucc
95
C
60
H
24
mse-gucc
96
C
60
H
24
mse-gucc
97
C
60
H
24
mse-gucc
98
C
60
H
24
mse-gucc
99
C
60
H
24
mse-gucc
100
C
60
H
24
mse-gucc
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