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
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
Maximum stress on unit cell (smax)
str_E
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
Age
✕
1
Au
54
H
2654.442
15M
2
Au
54
He
2654.442
15M
3
Au
54
Li
2654.442
15M
4
Au
54
Be
2654.442
15M
5
Au
54
B
2654.442
15M
6
Au
54
C
2654.442
15M
7
Au
54
N
2654.442
15M
8
Au
54
O
2654.442
15M
9
Au
54
F
2654.442
15M
10
Au
54
Ne
2654.442
15M
11
Au
54
Na
2654.442
15M
12
Au
54
Mg
2654.442
15M
13
AlAu
54
2654.442
15M
14
Au
54
Si
2654.442
15M
15
Au
54
P
2654.442
15M
16
Au
54
S
2654.442
15M
17
Au
54
Cl
2654.442
15M
18
Au
54
Ar
2654.442
15M
19
Au
54
H
2654.442
15M
20
Au
54
He
2654.442
15M
21
Au
54
Li
2654.442
15M
22
Au
54
Be
2654.442
15M
23
Au
54
B
2654.442
15M
24
Au
54
C
2654.442
15M
25
Au
54
N
2654.442
15M
«
1
2
3
4
5
...
21
22
23
24
»