Home
SAGAR
Database
MATLAB-code
ASE database
Help with constructing advanced search queries ...
Toggle list of keys ...
age
Time since creation
calculator
ASE-calculator name
charge
Net charge in unit cell
|e|
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
perms_num
smax
Maximum stress on unit cell
eV/Ang
3
unique_id
Random (unique) ID
user
Username
volume
Volume of unit cell
Ang
3
Displaying rows 176-18 out of 18
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Maximum force (fmax)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_num
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Energy
✕
Age
✕
176
C
60
H
18
-592.369
55M
177
C
60
H
18
-592.860
55M
178
C
60
H
18
-593.422
55M
179
C
60
H
18
-594.305
55M
180
C
60
H
18
-595.996
55M
181
C
60
H
18
-595.493
55M
182
C
60
H
18
-595.631
55M
183
C
60
H
18
-593.641
55M
184
C
60
H
18
-592.950
55M
185
C
60
H
18
-595.591
55M
186
C
60
H
18
-591.936
55M
187
C
60
H
18
-591.357
55M
188
C
60
H
18
-592.407
55M
189
C
60
H
18
-595.155
55M
190
C
60
H
18
-594.325
55M
191
C
60
H
18
-592.695
55M
192
C
60
H
18
-593.375
55M
193
C
60
H
18
-594.278
55M
194
C
60
H
18
-592.666
55M
195
C
60
H
18
-596.246
55M
196
C
60
H
18
-592.827
55M
197
C
60
H
18
-593.435
55M
198
C
60
H
18
-594.470
55M
199
C
60
H
18
-593.059
55M
200
C
60
H
18
-595.876
55M
«
1
...
»