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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)
Total energy (energy)
Chemical formula (formula)
Uniqe row ID (id)
Magnetic moment (magmom)
Number of atoms (natoms)
Maximum stress on unit cell (smax)
Rows: 25
10
25
50
100
200
perms_num
✕
Maximum force
✕
Username
✕
Mass
✕
PBC
✕
Volume
✕
Charge
✕
1
0.010
mse-gucc
17285.869
TTT
8000.000
0.000
1
0.103
mse-gucc
17285.869
TTT
7502.572
0.000
1
0.514
mse-gucc
17285.869
TTT
4843.699
0.000
1
0.010
mse-gucc
17285.869
TTT
8000.000
0.000
1
0.777
mse-gucc
17285.869
TTT
4901.317
0.000
1
0.842
mse-gucc
17285.869
TTT
3491.818
0.000
1
0.043
mse-gucc
17285.869
TTT
7583.240
0.000
1
0.877
mse-gucc
17285.869
TTT
4326.471
0.000
2
0.009
mse-gucc
17285.869
TTT
8000.000
0.000
2
0.692
mse-gucc
17285.869
TTT
3306.728
0.000
1
0.295
mse-gucc
17285.869
TTT
3208.464
0.000
1
2.070
mse-gucc
17285.869
TTT
4843.897
0.000
1
0.668
mse-gucc
17285.869
TTT
4350.536
0.000
1
1.121
mse-gucc
17285.869
TTT
4919.381
0.000
1
0.866
mse-gucc
17285.869
TTT
5597.694
0.000
1
0.389
mse-gucc
17285.869
TTT
4564.732
0.000
2
0.062
mse-gucc
17285.869
TTT
7498.766
0.000
2
0.009
mse-gucc
17285.869
TTT
8000.000
0.000
1
0.008
mse-gucc
17285.869
TTT
8000.000
0.000
1
0.010
mse-gucc
17285.869
TTT
8000.000
0.000
1
1.042
mse-gucc
17285.869
TTT
5184.820
0.000
1
0.009
mse-gucc
17285.869
TTT
8000.000
0.000
1
0.008
mse-gucc
17285.869
TTT
8000.000
0.000
2
0.579
mse-gucc
17285.869
TTT
4740.028
0.000
1
0.010
mse-gucc
17285.869
TTT
8000.000
0.000
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