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 26-50 out of 594
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Dipole_val
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)
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
✕
Formula
✕
ads_E
✕
Maximum stress
✕
26
Au
54
O
-3.356
0.011
27
Au
54
F
-3.390
0.011
28
Au
54
Ne
-0.008
0.011
29
Au
54
Na
-2.150
0.011
30
Au
54
Mg
-1.750
0.012
31
AlAu
54
-3.303
0.012
32
Au
54
Si
-4.042
0.012
33
Au
54
P
-3.107
0.011
34
Au
54
S
-3.427
0.011
35
Au
54
Cl
-2.748
0.011
36
Au
54
Ar
-0.004
0.011
37
Au
54
H
-1.953
0.011
38
Au
54
He
-0.005
0.011
39
Au
54
Li
-2.265
0.011
40
Au
54
Be
-1.631
0.011
41
Au
54
B
-2.999
0.011
42
Au
54
C
-2.695
0.011
43
Au
54
N
-0.767
0.011
44
Au
54
O
-2.278
0.010
45
Au
54
F
-3.022
0.010
46
Au
54
Ne
-0.004
0.011
47
Au
54
Na
-1.952
0.011
48
Au
54
Mg
-1.273
0.011
49
AlAu
54
-2.745
0.011
50
Au
54
Si
-2.884
0.011
«
1
2
3
4
5
6
...
21
22
23
24
»