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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 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)
perms_num
Maximum stress on unit cell (smax)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Username
✕
PBC
✕
51
C
60
H
18
mse-gucc
TTT
52
C
60
H
18
mse-gucc
TTT
53
C
60
H
18
mse-gucc
TTT
54
C
60
H
18
mse-gucc
TTT
55
C
60
H
18
mse-gucc
TTT
56
C
60
H
18
mse-gucc
TTT
57
C
60
H
18
mse-gucc
TTT
58
C
60
H
18
mse-gucc
TTT
59
C
60
H
18
mse-gucc
TTT
60
C
60
H
18
mse-gucc
TTT
61
C
60
H
18
mse-gucc
TTT
62
C
60
H
18
mse-gucc
TTT
63
C
60
H
18
mse-gucc
TTT
64
C
60
H
18
mse-gucc
TTT
65
C
60
H
18
mse-gucc
TTT
66
C
60
H
18
mse-gucc
TTT
67
C
60
H
18
mse-gucc
TTT
68
C
60
H
18
mse-gucc
TTT
69
C
60
H
18
mse-gucc
TTT
70
C
60
H
18
mse-gucc
TTT
71
C
60
H
18
mse-gucc
TTT
72
C
60
H
18
mse-gucc
TTT
73
C
60
H
18
mse-gucc
TTT
74
C
60
H
18
mse-gucc
TTT
75
C
60
H
18
mse-gucc
TTT
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