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 1-8 out of 8
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
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
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Energy
✕
Username
✕
1
-168.070
hecc
2
-165.069
hecc
3
-168.230
hecc
4
-169.147
hecc
5
-171.055
hecc
6
-171.207
hecc
7
-170.577
hecc
8
-169.926
hecc
9
-168.695
hecc
10
-165.085
hecc
11
-167.652
hecc
12
-167.509
hecc
13
-169.611
hecc
14
-170.944
hecc
15
-171.031
hecc
16
-169.906
hecc
17
-167.868
hecc
18
-165.095
hecc
19
-168.428
hecc
20
-165.069
hecc
21
-167.904
hecc
22
-167.816
hecc
23
-169.754
hecc
24
-170.497
hecc
25
-170.360
hecc
«
1
»