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 176-200 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)
Net charge in unit cell (charge)
distance
Total energy (energy)
Maximum force (fmax)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
plane_index
slab_E
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Maximum stress
✕
Magnetic moment
✕
str_E
✕
176
Au
45
Si
0.013
0.000
-143.769
177
Au
45
P
0.012
-0.000
-144.133
178
Au
45
S
0.011
-0.000
-143.377
179
Au
45
Cl
0.012
0.000
-141.462
180
Au
45
Ar
0.015
0.000
-138.753
181
Au
45
H
0.014
0.000
-141.769
182
Au
45
He
0.015
-0.000
-138.730
183
Au
45
Li
0.015
0.000
-141.321
184
Au
45
Be
0.014
0.000
-140.290
185
Au
45
B
0.014
-0.000
-141.844
186
Au
45
C
0.014
0.001
-142.405
187
Au
45
N
0.013
-0.000
-142.385
188
Au
45
O
0.013
0.000
-142.393
189
Au
45
F
0.014
-0.000
-142.103
190
Au
45
Ne
0.015
-0.000
-138.746
191
Au
45
Na
0.015
0.000
-140.948
192
Au
45
Mg
0.015
0.000
-139.972
193
AlAu
45
0.015
0.000
-141.642
194
Au
45
Si
0.014
0.000
-142.301
195
Au
45
P
0.014
-0.000
-142.141
196
Au
45
S
0.013
0.000
-141.836
197
Au
45
Cl
0.013
-0.000
-141.271
198
Au
45
Ar
0.015
-0.000
-138.752
199
Ag
54
H
0.006
-0.000
-142.041
200
Ag
54
He
0.006
0.000
-138.958
«
1
2
3
4
5
6
7
8
9
10
11
12
...
21
22
23
24
»