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 551-575 out of 594
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
ads_E
Time since creation (age)
atom_E
ASE-calculator name (calculator)
Net charge in unit cell (charge)
distance
Total energy (energy)
Maximum force (fmax)
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
Maximum stress on unit cell (smax)
str_E
Username (user)
Rows: 25
10
25
50
100
200
↑
ID
✕
ads_site
✕
Dipole_val
✕
Volume
✕
44
0t
2.393
2654.442
43
0t
1.558
2654.442
42
0t
0.691
2654.442
41
0t
0.021
2654.442
40
0t
-1.560
2654.442
39
0t
-5.047
2654.442
38
0t
-0.015
2654.442
37
0t
0.155
2654.442
36
1b
-0.099
2654.442
35
1b
0.954
2654.442
34
1b
0.877
2654.442
33
1b
0.123
2654.442
32
1b
-0.547
2654.442
31
1b
-1.327
2654.442
30
1b
-3.232
2654.442
29
1b
-5.551
2654.442
28
1b
-0.015
2654.442
27
1b
1.353
2654.442
26
1b
1.316
2654.442
25
1b
0.930
2654.442
24
1b
0.475
2654.442
23
1b
-0.008
2654.442
22
1b
-1.093
2654.442
21
1b
-3.955
2654.442
20
1b
-0.017
2654.442
«
1
2
3
4
5
...
19
20
21
22
23
24
»