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MATLAB-code
ASE database
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C_rate
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
gap
id
Uniqe row ID
magmom
Magnetic moment
au
mass
Sum of atomic masses in unit cell
au
mean_energy
natoms
Number of atoms
pbc
Periodic boundary conditions
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 51-31 out of 31
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C_rate
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
gap
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
mean_energy
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Username
✕
51
B
3
C
10
N
3
mse-gucc
52
B
3
C
10
N
3
mse-gucc
53
B
3
C
10
N
3
mse-gucc
54
B
3
C
10
N
3
mse-gucc
55
B
4
C
8
N
4
mse-gucc
56
B
4
C
8
N
4
mse-gucc
57
B
4
C
8
N
4
mse-gucc
58
B
4
C
8
N
4
mse-gucc
59
B
4
C
8
N
4
mse-gucc
60
B
4
C
8
N
4
mse-gucc
61
B
4
C
8
N
4
mse-gucc
62
B
4
C
8
N
4
mse-gucc
63
B
4
C
8
N
4
mse-gucc
64
B
4
C
8
N
4
mse-gucc
65
B
4
C
8
N
4
mse-gucc
66
B
4
C
8
N
4
mse-gucc
67
B
4
C
8
N
4
mse-gucc
68
B
4
C
8
N
4
mse-gucc
69
B
4
C
8
N
4
mse-gucc
70
B
4
C
8
N
4
mse-gucc
71
B
4
C
8
N
4
mse-gucc
72
B
4
C
8
N
4
mse-gucc
73
B
4
C
8
N
4
mse-gucc
74
B
4
C
8
N
4
mse-gucc
75
B
4
C
8
N
4
mse-gucc
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