Home
SAGAR
Database
MATLAB-code
ASE database
Help with constructing advanced search queries ...
Toggle list of keys ...
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
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Dipole_val
ads_E
ads_site
Time since creation (age)
atom_E
Net charge in unit cell (charge)
Total energy (energy)
Chemical formula (formula)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
plane_index
slab_E
str_E
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Maximum stress
✕
Maximum force
✕
distance
✕
Calculator
✕
1
0.012
0.008
0.464
vasp
2
0.011
0.006
3.597
vasp
3
0.011
0.008
1.620
vasp
4
0.010
0.008
0.461
vasp
5
0.011
0.008
0.094
vasp
6
0.011
0.009
0.055
vasp
7
0.011
0.008
0.748
vasp
8
0.011
0.009
0.843
vasp
9
0.011
0.005
1.259
vasp
10
0.011
0.010
3.424
vasp
11
0.011
0.005
2.111
vasp
12
0.010
0.010
1.410
vasp
13
0.010
0.010
0.934
vasp
14
0.010
0.006
0.866
vasp
15
0.011
0.006
1.150
vasp
16
0.011
0.007
1.251
vasp
17
0.011
0.010
1.721
vasp
18
0.011
0.006
3.651
vasp
19
0.011
0.010
0.885
vasp
20
0.011
0.009
3.568
vasp
21
0.012
0.009
1.954
vasp
22
0.012
0.009
1.213
vasp
23
0.011
0.009
0.861
vasp
24
0.011
0.006
1.062
vasp
25
0.011
0.010
1.146
vasp
«
1
2
3
4
5
...
21
22
23
24
»