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MATLAB-code
ASE database
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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
id
Uniqe row ID
magmom
Magnetic moment
au
mass
Sum of atomic masses in unit cell
au
natoms
Number of atoms
pbc
Periodic boundary conditions
perms_num
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 414
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Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Chemical formula (formula)
Uniqe row ID (id)
Magnetic moment (magmom)
Number of atoms (natoms)
Maximum stress on unit cell (smax)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
perms_num
✕
Maximum force
✕
Username
✕
Mass
✕
PBC
✕
1
0.010
mse-gucc
17285.869
TTT
1
0.103
mse-gucc
17285.869
TTT
1
0.514
mse-gucc
17285.869
TTT
1
0.010
mse-gucc
17285.869
TTT
1
0.777
mse-gucc
17285.869
TTT
1
0.842
mse-gucc
17285.869
TTT
1
0.043
mse-gucc
17285.869
TTT
1
0.877
mse-gucc
17285.869
TTT
2
0.009
mse-gucc
17285.869
TTT
2
0.692
mse-gucc
17285.869
TTT
1
0.295
mse-gucc
17285.869
TTT
1
2.070
mse-gucc
17285.869
TTT
1
0.668
mse-gucc
17285.869
TTT
1
1.121
mse-gucc
17285.869
TTT
1
0.866
mse-gucc
17285.869
TTT
1
0.389
mse-gucc
17285.869
TTT
2
0.062
mse-gucc
17285.869
TTT
2
0.009
mse-gucc
17285.869
TTT
1
0.008
mse-gucc
17285.869
TTT
1
0.010
mse-gucc
17285.869
TTT
1
1.042
mse-gucc
17285.869
TTT
1
0.009
mse-gucc
17285.869
TTT
1
0.008
mse-gucc
17285.869
TTT
2
0.579
mse-gucc
17285.869
TTT
1
0.010
mse-gucc
17285.869
TTT
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