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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
Maximum force (fmax)
Chemical formula (formula)
Uniqe row ID (id)
Magnetic moment (magmom)
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
slab_E
✕
Energy
✕
Mass
✕
Volume
✕
-165.064
-168.070
17285.869
2654.442
-165.064
-165.069
17285.869
2654.442
-165.064
-168.230
17285.869
2654.442
-165.064
-169.147
17285.869
2654.442
-165.064
-171.055
17285.869
2654.442
-165.064
-171.207
17285.869
2654.442
-165.064
-170.577
17285.869
2654.442
-165.064
-169.926
17285.869
2654.442
-165.064
-168.695
17285.869
2654.442
-165.064
-165.085
17285.869
2654.442
-165.064
-167.652
17285.869
2654.442
-165.064
-167.509
17285.869
2654.442
-165.064
-169.611
17285.869
2654.442
-165.064
-170.944
17285.869
2654.442
-165.064
-171.031
17285.869
2654.442
-165.064
-169.906
17285.869
2654.442
-165.064
-167.868
17285.869
2654.442
-165.064
-165.095
17285.869
2654.442
-165.064
-168.428
17285.869
2654.442
-165.064
-165.069
17285.869
2654.442
-165.064
-167.904
17285.869
2654.442
-165.064
-167.816
17285.869
2654.442
-165.064
-169.754
17285.869
2654.442
-165.064
-170.497
17285.869
2654.442
-165.064
-170.360
17285.869
2654.442
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