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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)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Maximum stress
✕
Mass
✕
Maximum force
✕
26
0.000
17285.869
0.015
27
0.000
17285.869
0.007
28
0.000
17285.869
0.006
29
0.000
17285.869
0.010
30
0.000
17285.869
0.005
31
0.000
17285.869
0.006
32
0.000
17285.869
0.007
33
0.000
17285.869
0.009
34
0.000
17285.869
0.005
35
0.000
17285.869
0.008
36
0.000
17285.869
0.006
37
0.000
17285.869
0.010
38
0.000
17285.869
0.006
39
0.000
17285.869
0.007
40
0.000
17285.869
0.031
41
0.000
17285.869
0.010
42
0.000
17285.869
0.008
43
0.000
17285.869
0.009
44
0.000
17285.869
0.007
45
0.000
17285.869
0.009
46
0.000
17285.869
0.007
47
0.000
17285.869
0.007
48
0.000
17285.869
0.006
49
0.000
17285.869
0.009
50
0.000
17285.869
0.007
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