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ASE database
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Dipole_val
ads_E
ads_site
age
Time since creation
atom_E
calculator
ASE-calculator name
charge
Net charge in unit cell
|e|
distance
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
plane_index
slab_E
smax
Maximum stress on unit cell
eV/Ang
3
str_E
unique_id
Random (unique) ID
user
Username
volume
Volume of unit cell
Ang
3
Displaying rows 26-50 out of 594
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Dipole_val
ads_E
Time since creation (age)
ASE-calculator name (calculator)
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
slab_E
str_E
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Charge
✕
atom_E
✕
distance
✕
plane_index
✕
Maximum stress
✕
ads_site
✕
26
0.000
-1.533
1.207
100
0.011
1b
27
0.000
-0.424
1.450
100
0.011
1b
28
0.000
-0.013
3.533
100
0.011
1b
29
0.000
-0.225
2.311
100
0.011
1b
30
0.000
-0.004
1.912
100
0.012
1b
31
0.000
-0.295
1.789
100
0.012
1b
32
0.000
-0.830
1.628
100
0.012
1b
33
0.000
-1.888
1.558
100
0.011
1b
34
0.000
-0.945
1.610
100
0.011
1b
35
0.000
-0.243
1.850
100
0.011
1b
36
0.000
-0.025
3.651
100
0.011
1b
37
0.000
-1.117
1.595
100
0.011
0t
38
0.000
0.002
3.705
100
0.011
0t
39
0.000
-0.299
2.190
100
0.011
0t
40
0.000
-0.039
2.075
100
0.011
0t
41
0.000
-0.349
1.936
100
0.011
0t
42
0.000
-1.248
1.843
100
0.011
0t
43
0.000
-3.124
1.846
100
0.011
0t
44
0.000
-1.533
1.899
100
0.010
0t
45
0.000
-0.424
2.054
100
0.010
0t
46
0.000
-0.013
3.612
100
0.011
0t
47
0.000
-0.225
2.484
100
0.011
0t
48
0.000
-0.004
2.361
100
0.011
0t
49
0.000
-0.295
2.346
100
0.011
0t
50
0.000
-0.830
2.049
100
0.011
0t
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