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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)
Rows: 25
10
25
50
100
200
Maximum force
✕
Username
✕
perms_num
✕
Volume
✕
Mass
✕
PBC
✕
0.074
mse-gucc
1
7652.244
17285.869
TTT
0.411
mse-gucc
1
5086.352
17285.869
TTT
0.940
mse-gucc
1
5099.068
17285.869
TTT
0.807
mse-gucc
1
4496.830
17285.869
TTT
0.273
mse-gucc
1
7807.719
17285.869
TTT
0.991
mse-gucc
2
4132.325
17285.869
TTT
0.497
mse-gucc
1
6310.179
17285.869
TTT
10.605
mse-gucc
2
1365.100
17285.869
TTT
0.029
mse-gucc
4
7815.418
17285.869
TTT
0.805
mse-gucc
2
5994.587
17285.869
TTT
0.009
mse-gucc
1
8000.000
17285.869
TTT
0.099
mse-gucc
2
7380.108
17285.869
TTT
0.787
mse-gucc
2
4421.837
17285.869
TTT
0.581
mse-gucc
2
5343.978
17285.869
TTT
0.420
mse-gucc
2
5115.069
17285.869
TTT
14.369
mse-gucc
2
1456.903
17285.869
TTT
0.564
mse-gucc
2
6363.060
17285.869
TTT
0.009
mse-gucc
1
8000.000
17285.869
TTT
10.655
mse-gucc
2
1435.733
17285.869
TTT
0.552
mse-gucc
2
4242.784
17285.869
TTT
0.764
mse-gucc
1
4819.303
17285.869
TTT
0.290
mse-gucc
2
7132.046
17285.869
TTT
0.473
mse-gucc
2
4067.095
17285.869
TTT
0.268
mse-gucc
1
7466.286
17285.869
TTT
0.669
mse-gucc
2
6167.320
17285.869
TTT
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