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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 1-8 out of 8
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Dipole_val
ads_E
ads_site
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)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
plane_index
slab_E
Maximum stress on unit cell (smax)
str_E
Username (user)
Rows: 25
10
25
50
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200
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ID
✕
Mass
✕
Volume
✕
1
17285.869
2654.442
2
17285.869
2654.442
3
17285.869
2654.442
4
17285.869
2654.442
5
17285.869
2654.442
6
17285.869
2654.442
7
17285.869
2654.442
8
17285.869
2654.442
9
17285.869
2654.442
10
17285.869
2654.442
11
17285.869
2654.442
12
17285.869
2654.442
13
17285.869
2654.442
14
17285.869
2654.442
15
17285.869
2654.442
16
17285.869
2654.442
17
17285.869
2654.442
18
17285.869
2654.442
19
17285.869
2654.442
20
17285.869
2654.442
21
17285.869
2654.442
22
17285.869
2654.442
23
17285.869
2654.442
24
17285.869
2654.442
25
17285.869
2654.442
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