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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)
Magnetic moment (magmom)
mean_energy
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Mass
✕
gap
✕
Maximum stress
✕
Maximum force
✕
Username
✕
1
17285.869
1.718
0.000
0.009
mse-gucc
2
17285.869
1.381
0.000
0.002
mse-gucc
3
17285.869
2.395
0.000
0.009
mse-gucc
4
17285.869
1.354
0.000
0.005
mse-gucc
5
17285.869
1.613
0.000
0.004
mse-gucc
6
17285.869
0.009
0.000
0.013
mse-gucc
7
17285.869
0.427
0.000
0.007
mse-gucc
8
17285.869
1.070
0.000
0.004
mse-gucc
9
17285.869
0.926
0.000
0.006
mse-gucc
10
17285.869
1.212
0.000
0.004
mse-gucc
11
17285.869
0.279
0.000
0.007
mse-gucc
12
17285.869
0.006
0.001
0.008
mse-gucc
13
17285.869
2.031
0.000
0.007
mse-gucc
14
17285.869
0.855
0.000
0.007
mse-gucc
15
17285.869
1.125
0.000
0.009
mse-gucc
16
17285.869
2.164
0.000
0.006
mse-gucc
17
17285.869
0.198
0.000
0.009
mse-gucc
18
17285.869
1.047
0.000
0.008
mse-gucc
19
17285.869
1.846
0.000
0.008
mse-gucc
20
17285.869
2.911
0.001
0.008
mse-gucc
21
17285.869
1.391
0.000
0.008
mse-gucc
22
17285.869
0.849
0.000
0.009
mse-gucc
23
17285.869
0.295
0.000
0.009
mse-gucc
24
17285.869
0.018
0.000
0.007
mse-gucc
25
17285.869
1.480
0.000
0.005
mse-gucc
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