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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 51-75 out of 594
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Dipole_val
ads_E
Time since creation (age)
atom_E
ASE-calculator name (calculator)
Net charge in unit cell (charge)
distance
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)
plane_index
Maximum stress on unit cell (smax)
str_E
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Volume
✕
slab_E
✕
ads_site
✕
51
2654.442
-165.064
0t
52
2654.442
-165.064
0t
53
2654.442
-165.064
0t
54
2654.442
-165.064
0t
55
3649.858
-218.527
2f
56
3649.858
-218.527
2f
57
3649.858
-218.527
2f
58
3649.858
-218.527
2f
59
3649.858
-218.527
2f
60
3649.858
-218.527
2f
61
3649.858
-218.527
2f
62
3649.858
-218.527
2f
63
3649.858
-218.527
2f
64
3649.858
-218.527
2f
65
3649.858
-218.527
2f
66
3649.858
-218.527
2f
67
3649.858
-218.527
2f
68
3649.858
-218.527
2f
69
3649.858
-218.527
2f
70
3649.858
-218.527
2f
71
3649.858
-218.527
2f
72
3649.858
-218.527
2f
73
3649.858
-218.527
3b
74
3649.858
-218.527
3b
75
3649.858
-218.527
3b
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