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 151-175 out of 594
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Dipole_val
ads_E
ads_site
Time since creation (age)
atom_E
ASE-calculator name (calculator)
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
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Charge
✕
Volume
✕
Username
✕
151
Au
45
N
0.000
2322.637
hecc
152
Au
45
O
0.000
2322.637
hecc
153
Au
45
F
0.000
2322.637
hecc
154
Au
45
Ne
0.000
2322.637
hecc
155
Au
45
Na
0.000
2322.637
hecc
156
Au
45
Mg
0.000
2322.637
hecc
157
AlAu
45
0.000
2322.637
hecc
158
Au
45
Si
0.000
2322.637
hecc
159
Au
45
P
0.000
2322.637
hecc
160
Au
45
S
0.000
2322.637
hecc
161
Au
45
Cl
0.000
2322.637
hecc
162
Au
45
Ar
0.000
2322.637
hecc
163
Au
45
H
0.000
2322.637
hecc
164
Au
45
He
0.000
2322.637
hecc
165
Au
45
Li
0.000
2322.637
hecc
166
Au
45
Be
0.000
2322.637
hecc
167
Au
45
B
0.000
2322.637
hecc
168
Au
45
C
0.000
2322.637
hecc
169
Au
45
N
0.000
2322.637
hecc
170
Au
45
O
0.000
2322.637
hecc
171
Au
45
F
0.000
2322.637
hecc
172
Au
45
Ne
0.000
2322.637
hecc
173
Au
45
Na
0.000
2322.637
hecc
174
Au
45
Mg
0.000
2322.637
hecc
175
AlAu
45
0.000
2322.637
hecc
«
1
2
3
4
5
6
7
8
9
10
11
...
21
22
23
24
»