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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 26-31 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)
Chemical formula (formula)
gap
Magnetic moment (magmom)
mean_energy
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Username
✕
Maximum force
✕
Mass
✕
Maximum stress
✕
26
mse-gucc
0.015
17285.869
0.000
27
mse-gucc
0.007
17285.869
0.000
28
mse-gucc
0.006
17285.869
0.000
29
mse-gucc
0.010
17285.869
0.000
30
mse-gucc
0.005
17285.869
0.000
31
mse-gucc
0.006
17285.869
0.000
32
mse-gucc
0.007
17285.869
0.000
33
mse-gucc
0.009
17285.869
0.000
34
mse-gucc
0.005
17285.869
0.000
35
mse-gucc
0.008
17285.869
0.000
36
mse-gucc
0.006
17285.869
0.000
37
mse-gucc
0.010
17285.869
0.000
38
mse-gucc
0.006
17285.869
0.000
39
mse-gucc
0.007
17285.869
0.000
40
mse-gucc
0.031
17285.869
0.000
41
mse-gucc
0.010
17285.869
0.000
42
mse-gucc
0.008
17285.869
0.000
43
mse-gucc
0.009
17285.869
0.000
44
mse-gucc
0.007
17285.869
0.000
45
mse-gucc
0.009
17285.869
0.000
46
mse-gucc
0.007
17285.869
0.000
47
mse-gucc
0.007
17285.869
0.000
48
mse-gucc
0.006
17285.869
0.000
49
mse-gucc
0.009
17285.869
0.000
50
mse-gucc
0.007
17285.869
0.000
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