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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 127
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C_rate
ASE-calculator name (calculator)
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Uniqe row ID (id)
Magnetic moment (magmom)
mean_energy
Number of atoms (natoms)
Maximum stress on unit cell (smax)
Rows: 25
10
25
50
100
200
Username
✕
Volume
✕
Mass
✕
Age
✕
PBC
✕
gap
✕
Charge
✕
mse-gucc
92.675
17285.869
6y
TTT
1.718
0.000
mse-gucc
92.808
17285.869
6y
TTT
1.381
0.000
mse-gucc
92.392
17285.869
6y
TTT
2.395
0.000
mse-gucc
92.730
17285.869
6y
TTT
1.354
0.000
mse-gucc
93.729
17285.869
6y
TTT
1.613
0.000
mse-gucc
94.575
17285.869
6y
TTT
0.009
0.000
mse-gucc
94.033
17285.869
6y
TTT
0.427
0.000
mse-gucc
93.826
17285.869
6y
TTT
1.070
0.000
mse-gucc
94.215
17285.869
6y
TTT
0.926
0.000
mse-gucc
93.770
17285.869
6y
TTT
1.212
0.000
mse-gucc
94.158
17285.869
6y
TTT
0.279
0.000
mse-gucc
94.468
17285.869
6y
TTT
0.006
0.000
mse-gucc
93.417
17285.869
6y
TTT
2.031
0.000
mse-gucc
94.209
17285.869
6y
TTT
0.855
0.000
mse-gucc
93.901
17285.869
6y
TTT
1.125
0.000
mse-gucc
93.603
17285.869
6y
TTT
2.164
0.000
mse-gucc
94.278
17285.869
6y
TTT
0.198
0.000
mse-gucc
93.604
17285.869
6y
TTT
1.047
0.000
mse-gucc
93.463
17285.869
6y
TTT
1.846
0.000
mse-gucc
93.087
17285.869
6y
TTT
2.911
0.000
mse-gucc
93.680
17285.869
6y
TTT
1.391
0.000
mse-gucc
94.075
17285.869
6y
TTT
0.849
0.000
mse-gucc
95.813
17285.869
6y
TTT
0.295
0.000
mse-gucc
95.409
17285.869
6y
TTT
0.018
0.000
mse-gucc
94.679
17285.869
6y
TTT
1.480
0.000
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