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)
distance
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
plane_index
slab_E
Maximum stress on unit cell (smax)
str_E
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Age
✕
atom_E
✕
Mass
✕
26
Au
54
O
15M
-1.533
10652.194
27
Au
54
F
15M
-0.424
10655.193
28
Au
54
Ne
15M
-0.013
10656.374
29
Au
54
Na
15M
-0.225
10659.184
30
Au
54
Mg
15M
-0.004
10660.500
31
AlAu
54
15M
-0.295
10663.176
32
Au
54
Si
15M
-0.830
10664.280
33
Au
54
P
15M
-1.888
10667.168
34
Au
54
S
15M
-0.945
10668.255
35
Au
54
Cl
15M
-0.243
10671.645
36
Au
54
Ar
15M
-0.025
10676.143
37
Au
54
H
15M
-1.117
10637.203
38
Au
54
He
15M
0.002
10640.197
39
Au
54
Li
15M
-0.299
10643.135
40
Au
54
Be
15M
-0.039
10645.207
41
Au
54
B
15M
-0.349
10647.005
42
Au
54
C
15M
-1.248
10648.206
43
Au
54
N
15M
-3.124
10650.202
44
Au
54
O
15M
-1.533
10652.194
45
Au
54
F
15M
-0.424
10655.193
46
Au
54
Ne
15M
-0.013
10656.374
47
Au
54
Na
15M
-0.225
10659.184
48
Au
54
Mg
15M
-0.004
10660.500
49
AlAu
54
15M
-0.295
10663.176
50
Au
54
Si
15M
-0.830
10664.280
«
1
2
3
4
5
6
...
21
22
23
24
»