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MATLAB-code
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 51-31 out of 31
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Dipole_val
ads_E
ads_site
Time since creation (age)
ASE-calculator name (calculator)
distance
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Uniqe row ID (id)
Magnetic moment (magmom)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
slab_E
Maximum stress on unit cell (smax)
str_E
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
Charge
✕
Mass
✕
atom_E
✕
plane_index
✕
Username
✕
0.000
17285.869
-1.888
100
hecc
0.000
17285.869
-0.945
100
hecc
0.000
17285.869
-0.243
100
hecc
0.000
17285.869
-0.025
100
hecc
0.000
17285.869
-1.117
110
hecc
0.000
17285.869
0.002
110
hecc
0.000
17285.869
-0.299
110
hecc
0.000
17285.869
-0.039
110
hecc
0.000
17285.869
-0.349
110
hecc
0.000
17285.869
-1.248
110
hecc
0.000
17285.869
-3.124
110
hecc
0.000
17285.869
-1.533
110
hecc
0.000
17285.869
-0.424
110
hecc
0.000
17285.869
-0.013
110
hecc
0.000
17285.869
-0.225
110
hecc
0.000
17285.869
-0.004
110
hecc
0.000
17285.869
-0.295
110
hecc
0.000
17285.869
-0.830
110
hecc
0.000
17285.869
-1.888
110
hecc
0.000
17285.869
-0.945
110
hecc
0.000
17285.869
-0.243
110
hecc
0.000
17285.869
-0.025
110
hecc
0.000
17285.869
-1.117
110
hecc
0.000
17285.869
0.002
110
hecc
0.000
17285.869
-0.299
110
hecc
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