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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 1-25 out of 594
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Dipole_val
ads_E
atom_E
ASE-calculator name (calculator)
Net charge in unit cell (charge)
distance
Maximum force (fmax)
Chemical formula (formula)
Uniqe row ID (id)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
plane_index
slab_E
Maximum stress on unit cell (smax)
str_E
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
Age
✕
ads_site
✕
Energy
✕
15M
2f
-168.070
15M
2f
-165.069
15M
2f
-168.230
15M
2f
-169.147
15M
2f
-171.055
15M
2f
-171.207
15M
2f
-170.577
15M
2f
-169.926
15M
2f
-168.695
15M
2f
-165.085
15M
2f
-167.652
15M
2f
-167.509
15M
2f
-169.611
15M
2f
-170.944
15M
2f
-171.031
15M
2f
-169.906
15M
2f
-167.868
15M
2f
-165.095
15M
1b
-168.428
15M
1b
-165.069
15M
1b
-167.904
15M
1b
-167.816
15M
1b
-169.754
15M
1b
-170.497
15M
1b
-170.360
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