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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)
Chemical formula (formula)
gap
Uniqe row ID (id)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
mean_energy
Number of atoms (natoms)
Maximum stress on unit cell (smax)
Rows: 25
10
25
50
100
200
Maximum force
✕
Username
✕
Volume
✕
Charge
✕
Age
✕
PBC
✕
0.009
mse-gucc
92.675
0.000
6y
TTT
0.002
mse-gucc
92.808
0.000
6y
TTT
0.009
mse-gucc
92.392
0.000
6y
TTT
0.005
mse-gucc
92.730
0.000
6y
TTT
0.004
mse-gucc
93.729
0.000
6y
TTT
0.013
mse-gucc
94.575
0.000
6y
TTT
0.007
mse-gucc
94.033
0.000
6y
TTT
0.004
mse-gucc
93.826
0.000
6y
TTT
0.006
mse-gucc
94.215
0.000
6y
TTT
0.004
mse-gucc
93.770
0.000
6y
TTT
0.007
mse-gucc
94.158
0.000
6y
TTT
0.008
mse-gucc
94.468
0.000
6y
TTT
0.007
mse-gucc
93.417
0.000
6y
TTT
0.007
mse-gucc
94.209
0.000
6y
TTT
0.009
mse-gucc
93.901
0.000
6y
TTT
0.006
mse-gucc
93.603
0.000
6y
TTT
0.009
mse-gucc
94.278
0.000
6y
TTT
0.008
mse-gucc
93.604
0.000
6y
TTT
0.008
mse-gucc
93.463
0.000
6y
TTT
0.008
mse-gucc
93.087
0.000
6y
TTT
0.008
mse-gucc
93.680
0.000
6y
TTT
0.009
mse-gucc
94.075
0.000
6y
TTT
0.009
mse-gucc
95.813
0.000
6y
TTT
0.007
mse-gucc
95.409
0.000
6y
TTT
0.005
mse-gucc
94.679
0.000
6y
TTT
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