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_E
ads_site
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
plane_index
Maximum stress on unit cell (smax)
str_E
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Username
✕
Magnetic moment
✕
Age
✕
slab_E
✕
distance
✕
atom_E
✕
26
Au
54
O
hecc
-0.000
15M
-165.064
1.207
-1.533
27
Au
54
F
hecc
0.000
15M
-165.064
1.450
-0.424
28
Au
54
Ne
hecc
0.000
15M
-165.064
3.533
-0.013
29
Au
54
Na
hecc
0.000
15M
-165.064
2.311
-0.225
30
Au
54
Mg
hecc
0.000
15M
-165.064
1.912
-0.004
31
AlAu
54
hecc
-0.000
15M
-165.064
1.789
-0.295
32
Au
54
Si
hecc
-0.000
15M
-165.064
1.628
-0.830
33
Au
54
P
hecc
-0.000
15M
-165.064
1.558
-1.888
34
Au
54
S
hecc
0.000
15M
-165.064
1.610
-0.945
35
Au
54
Cl
hecc
0.000
15M
-165.064
1.850
-0.243
36
Au
54
Ar
hecc
0.000
15M
-165.064
3.651
-0.025
37
Au
54
H
hecc
-0.000
15M
-165.064
1.595
-1.117
38
Au
54
He
hecc
0.000
15M
-165.064
3.705
0.002
39
Au
54
Li
hecc
-0.000
15M
-165.064
2.190
-0.299
40
Au
54
Be
hecc
0.000
15M
-165.064
2.075
-0.039
41
Au
54
B
hecc
0.000
15M
-165.064
1.936
-0.349
42
Au
54
C
hecc
0.000
15M
-165.064
1.843
-1.248
43
Au
54
N
hecc
0.000
15M
-165.064
1.846
-3.124
44
Au
54
O
hecc
0.000
15M
-165.064
1.899
-1.533
45
Au
54
F
hecc
-0.000
15M
-165.064
2.054
-0.424
46
Au
54
Ne
hecc
0.000
15M
-165.064
3.612
-0.013
47
Au
54
Na
hecc
0.000
15M
-165.064
2.484
-0.225
48
Au
54
Mg
hecc
-0.000
15M
-165.064
2.361
-0.004
49
AlAu
54
hecc
0.000
15M
-165.064
2.346
-0.295
50
Au
54
Si
hecc
-0.000
15M
-165.064
2.049
-0.830
«
1
2
3
4
5
6
...
21
22
23
24
»