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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 1-10 out of 18
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C_rate
ASE-calculator name (calculator)
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
gap
Magnetic moment (magmom)
mean_energy
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 10
10
25
50
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200
↓
ID
✕
Age
✕
Mass
✕
Charge
✕
1
5y
17285.869
0.000
2
5y
17285.869
0.000
3
5y
17285.869
0.000
4
5y
17285.869
0.000
5
5y
17285.869
0.000
6
5y
17285.869
0.000
7
5y
17285.869
0.000
8
5y
17285.869
0.000
9
5y
17285.869
0.000
10
5y
17285.869
0.000
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