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 301-325 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)
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
perms_num
✕
Mass
✕
Volume
✕
301
C
60
H
18
1
738.804
8000.000
302
C
60
H
18
1
738.804
8000.000
303
C
60
H
18
2
738.804
8000.000
304
C
60
H
18
2
738.804
8000.000
305
C
60
H
18
2
738.804
8000.000
306
C
60
H
18
2
738.804
8000.000
307
C
60
H
18
1
738.804
8000.000
308
C
60
H
18
2
738.804
8000.000
309
C
60
H
18
1
738.804
8000.000
310
C
60
H
18
1
738.804
8000.000
311
C
60
H
18
2
738.804
8000.000
312
C
60
H
18
1
738.804
8000.000
313
C
60
H
18
2
738.804
8000.000
314
C
60
H
18
2
738.804
8000.000
315
C
60
H
18
2
738.804
8000.000
316
C
60
H
18
2
738.804
8000.000
317
C
60
H
18
1
738.804
8000.000
318
C
60
H
18
2
738.804
8000.000
319
C
60
H
18
2
738.804
8000.000
320
C
60
H
18
2
738.804
8000.000
321
C
60
H
18
2
738.804
8000.000
322
C
60
H
18
1
738.804
8000.000
323
C
60
H
18
2
738.804
8000.000
324
C
60
H
18
1
738.804
8000.000
325
C
60
H
18
2
738.804
8000.000
«
1
2
3
4
5
...
9
10
11
12
13
14
15
16
17
»