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 226-250 out of 414
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Time since creation (age)
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)
Maximum stress on unit cell (smax)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
perms_num
✕
Energy
✕
Username
✕
226
C
60
H
18
1
-593.970
mse-gucc
227
C
60
H
18
1
-593.636
mse-gucc
228
C
60
H
18
1
-593.656
mse-gucc
229
C
60
H
18
1
-592.285
mse-gucc
230
C
60
H
18
1
-593.215
mse-gucc
231
C
60
H
18
1
-590.713
mse-gucc
232
C
60
H
18
1
-594.206
mse-gucc
233
C
60
H
18
1
-593.716
mse-gucc
234
C
60
H
18
1
-593.232
mse-gucc
235
C
60
H
18
1
-594.302
mse-gucc
236
C
60
H
18
1
-590.697
mse-gucc
237
C
60
H
18
1
-594.072
mse-gucc
238
C
60
H
18
1
-595.094
mse-gucc
239
C
60
H
18
1
-595.209
mse-gucc
240
C
60
H
18
1
-593.706
mse-gucc
241
C
60
H
18
1
-592.631
mse-gucc
242
C
60
H
18
1
-596.338
mse-gucc
243
C
60
H
18
1
-596.925
mse-gucc
244
C
60
H
18
1
-593.896
mse-gucc
245
C
60
H
18
1
-594.048
mse-gucc
246
C
60
H
18
1
-595.473
mse-gucc
247
C
60
H
18
1
-592.431
mse-gucc
248
C
60
H
18
1
-595.167
mse-gucc
249
C
60
H
18
1
-593.340
mse-gucc
250
C
60
H
18
1
-595.859
mse-gucc
«
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
»