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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 26-50 out of 594
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Dipole_val
ads_E
ads_site
atom_E
ASE-calculator name (calculator)
Net charge in unit cell (charge)
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)
plane_index
slab_E
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
Mass
✕
Age
✕
Maximum stress
✕
str_E
✕
17285.869
15M
0.011
-169.953
17285.869
15M
0.011
-168.878
17285.869
15M
0.011
-165.084
17285.869
15M
0.011
-167.438
17285.869
15M
0.012
-166.817
17285.869
15M
0.012
-168.662
17285.869
15M
0.012
-169.936
17285.869
15M
0.011
-170.059
17285.869
15M
0.011
-169.436
17285.869
15M
0.011
-168.055
17285.869
15M
0.011
-165.093
17285.869
15M
0.011
-168.134
17285.869
15M
0.011
-165.067
17285.869
15M
0.011
-167.627
17285.869
15M
0.011
-166.735
17285.869
15M
0.011
-168.412
17285.869
15M
0.011
-169.007
17285.869
15M
0.011
-168.955
17285.869
15M
0.010
-168.874
17285.869
15M
0.010
-168.510
17285.869
15M
0.011
-165.081
17285.869
15M
0.011
-167.240
17285.869
15M
0.011
-166.341
17285.869
15M
0.011
-168.104
17285.869
15M
0.011
-168.778
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