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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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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)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
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200
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ID
✕
Mass
✕
Maximum force
✕
C_rate
✕
1
17285.869
0.009
0.875
2
17285.869
0.002
0.875
3
17285.869
0.009
0.875
4
17285.869
0.005
0.875
5
17285.869
0.004
0.750
6
17285.869
0.013
0.750
7
17285.869
0.007
0.750
8
17285.869
0.004
0.750
9
17285.869
0.006
0.750
10
17285.869
0.004
0.750
11
17285.869
0.007
0.750
12
17285.869
0.008
0.750
13
17285.869
0.007
0.750
14
17285.869
0.007
0.750
15
17285.869
0.009
0.750
16
17285.869
0.006
0.750
17
17285.869
0.009
0.750
18
17285.869
0.008
0.750
19
17285.869
0.008
0.750
20
17285.869
0.008
0.750
21
17285.869
0.008
0.750
22
17285.869
0.009
0.750
23
17285.869
0.009
0.625
24
17285.869
0.007
0.625
25
17285.869
0.005
0.625
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