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 51-75 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)
Total energy (energy)
Maximum force (fmax)
Uniqe row ID (id)
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)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
Formula
✕
Age
✕
distance
✕
Au
54
P
15M
2.068
Au
54
S
15M
2.223
Au
54
Cl
15M
2.348
Au
54
Ar
15M
3.732
Au
72
H
15M
0.550
Au
72
He
15M
3.257
Au
72
Li
15M
1.239
Au
72
Be
15M
0.506
Au
72
B
15M
0.212
Au
72
C
15M
0.153
Au
72
N
15M
0.283
Au
72
O
15M
0.490
Au
72
F
15M
1.058
Au
72
Ne
15M
3.091
Au
72
Na
15M
1.723
Au
72
Mg
15M
1.112
AlAu
72
15M
0.784
Au
72
Si
15M
0.676
Au
72
P
15M
0.689
Au
72
S
15M
0.863
Au
72
Cl
15M
1.609
Au
72
Ar
15M
3.253
Au
72
H
15M
0.625
Au
72
He
15M
3.259
Au
72
Li
15M
1.284
«
1
2
3
4
5
6
7
...
21
22
23
24
»