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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)
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
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200
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ID
✕
Maximum force
✕
Mass
✕
Maximum stress
✕
Charge
✕
1
0.009
17285.869
0.000
0.000
2
0.002
17285.869
0.000
0.000
3
0.009
17285.869
0.000
0.000
4
0.005
17285.869
0.000
0.000
5
0.004
17285.869
0.000
0.000
6
0.013
17285.869
0.000
0.000
7
0.007
17285.869
0.000
0.000
8
0.004
17285.869
0.000
0.000
9
0.006
17285.869
0.000
0.000
10
0.004
17285.869
0.000
0.000
11
0.007
17285.869
0.000
0.000
12
0.008
17285.869
0.001
0.000
13
0.007
17285.869
0.000
0.000
14
0.007
17285.869
0.000
0.000
15
0.009
17285.869
0.000
0.000
16
0.006
17285.869
0.000
0.000
17
0.009
17285.869
0.000
0.000
18
0.008
17285.869
0.000
0.000
19
0.008
17285.869
0.000
0.000
20
0.008
17285.869
0.001
0.000
21
0.008
17285.869
0.000
0.000
22
0.009
17285.869
0.000
0.000
23
0.009
17285.869
0.000
0.000
24
0.007
17285.869
0.000
0.000
25
0.005
17285.869
0.000
0.000
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