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
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
str_E
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Volume
✕
Maximum stress
✕
1
2654.442
0.012
2
2654.442
0.011
3
2654.442
0.011
4
2654.442
0.010
5
2654.442
0.011
6
2654.442
0.011
7
2654.442
0.011
8
2654.442
0.011
9
2654.442
0.011
10
2654.442
0.011
11
2654.442
0.011
12
2654.442
0.010
13
2654.442
0.010
14
2654.442
0.010
15
2654.442
0.011
16
2654.442
0.011
17
2654.442
0.011
18
2654.442
0.011
19
2654.442
0.011
20
2654.442
0.011
21
2654.442
0.012
22
2654.442
0.012
23
2654.442
0.011
24
2654.442
0.011
25
2654.442
0.011
«
1
2
3
4
5
...
21
22
23
24
»