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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 101-125 out of 594
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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)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
slab_E
Maximum stress on unit cell (smax)
str_E
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
Dipole_val
✕
ads_E
✕
plane_index
✕
Age
✕
-6.067
-2.072
110
15M
-3.492
-1.742
110
15M
-1.522
-3.248
110
15M
-0.561
-3.917
110
15M
0.405
-3.043
110
15M
1.306
-3.556
110
15M
1.286
-2.909
110
15M
-0.163
0.002
110
15M
0.312
-2.132
110
15M
-0.024
-0.005
110
15M
-5.675
-2.185
110
15M
-1.886
-1.673
110
15M
0.023
-3.045
110
15M
0.775
-2.830
110
15M
1.821
-0.972
110
15M
2.735
-2.543
110
15M
2.894
-3.298
110
15M
-0.020
-0.007
110
15M
-6.877
-1.897
110
15M
-3.881
-1.261
110
15M
-2.381
-2.655
110
15M
-1.395
-2.818
110
15M
0.382
-1.704
110
15M
2.053
-2.475
110
15M
2.575
-2.669
110
15M
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