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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 1-25 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)
Sum of atomic masses in unit cell (mass)
mean_energy
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Volume of unit cell (volume)
Rows: 25
10
25
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200
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ID
✕
Maximum force
✕
Maximum stress
✕
Username
✕
1
0.009
0.000
mse-gucc
2
0.002
0.000
mse-gucc
3
0.009
0.000
mse-gucc
4
0.005
0.000
mse-gucc
5
0.004
0.000
mse-gucc
6
0.013
0.000
mse-gucc
7
0.007
0.000
mse-gucc
8
0.004
0.000
mse-gucc
9
0.006
0.000
mse-gucc
10
0.004
0.000
mse-gucc
11
0.007
0.000
mse-gucc
12
0.008
0.001
mse-gucc
13
0.007
0.000
mse-gucc
14
0.007
0.000
mse-gucc
15
0.009
0.000
mse-gucc
16
0.006
0.000
mse-gucc
17
0.009
0.000
mse-gucc
18
0.008
0.000
mse-gucc
19
0.008
0.000
mse-gucc
20
0.008
0.001
mse-gucc
21
0.008
0.000
mse-gucc
22
0.009
0.000
mse-gucc
23
0.009
0.000
mse-gucc
24
0.007
0.000
mse-gucc
25
0.005
0.000
mse-gucc
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