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 26-8 out of 8
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)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_num
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
Maximum stress
✕
26
C
60
H
18
7138.644
0.000
27
C
60
H
18
4702.343
0.002
28
C
60
H
18
7048.224
0.000
29
C
60
H
18
8000.000
0.000
30
C
60
H
18
3652.722
0.004
31
C
60
H
18
5326.678
0.001
32
C
60
H
18
4443.251
0.002
33
C
60
H
18
6932.989
0.000
34
C
60
H
18
4771.670
0.002
35
C
60
H
18
6294.058
0.000
36
C
60
H
18
8000.000
0.000
37
C
60
H
18
7565.245
0.000
38
C
60
H
18
8000.000
0.000
39
C
60
H
18
1997.865
0.966
40
C
60
H
18
3863.799
0.000
41
C
60
H
18
5219.566
0.002
42
C
60
H
18
4791.026
0.005
43
C
60
H
18
8000.000
0.000
44
C
60
H
18
4573.035
0.002
45
C
60
H
18
4577.814
0.001
46
C
60
H
18
861.805
1.892
47
C
60
H
18
8000.000
0.000
48
C
60
H
18
7059.802
0.000
49
C
60
H
18
8000.000
0.000
50
C
60
H
18
8000.000
0.000
«
1
»