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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)
mean_energy
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Volume of unit cell (volume)
Rows: 25
10
25
50
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200
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ID
✕
Mass
✕
Maximum stress
✕
Maximum force
✕
Username
✕
127
17285.869
0.009
0.000
mse-gucc
126
17285.869
0.000
0.000
mse-gucc
125
17285.869
0.000
0.007
mse-gucc
124
17285.869
0.000
0.005
mse-gucc
123
17285.869
0.001
0.009
mse-gucc
122
17285.869
0.000
0.008
mse-gucc
121
17285.869
0.000
0.008
mse-gucc
120
17285.869
0.000
0.008
mse-gucc
119
17285.869
0.000
0.004
mse-gucc
118
17285.869
0.000
0.008
mse-gucc
117
17285.869
0.000
0.007
mse-gucc
116
17285.869
0.000
0.005
mse-gucc
115
17285.869
0.000
0.006
mse-gucc
114
17285.869
0.000
0.009
mse-gucc
113
17285.869
0.000
0.009
mse-gucc
112
17285.869
0.000
0.005
mse-gucc
111
17285.869
0.000
0.008
mse-gucc
110
17285.869
0.000
0.004
mse-gucc
109
17285.869
0.000
0.009
mse-gucc
108
17285.869
0.000
0.007
mse-gucc
107
17285.869
0.000
0.009
mse-gucc
106
17285.869
0.000
0.009
mse-gucc
105
17285.869
0.000
0.007
mse-gucc
104
17285.869
0.000
0.008
mse-gucc
103
17285.869
0.000
0.006
mse-gucc
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