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 1-50 out of 594
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)
perms_num
Maximum stress on unit cell (smax)
Volume of unit cell (volume)
Rows: 50
10
25
50
100
200
↓
ID
✕
Formula
✕
Mass
✕
Username
✕
1
C
60
H
18
738.804
mse-gucc
2
C
60
H
18
738.804
mse-gucc
3
C
60
H
18
738.804
mse-gucc
4
C
60
H
18
738.804
mse-gucc
5
C
60
H
18
738.804
mse-gucc
6
C
60
H
18
738.804
mse-gucc
7
C
60
H
18
738.804
mse-gucc
8
C
60
H
18
738.804
mse-gucc
9
C
60
H
18
738.804
mse-gucc
10
C
60
H
18
738.804
mse-gucc
11
C
60
H
18
738.804
mse-gucc
12
C
60
H
18
738.804
mse-gucc
13
C
60
H
18
738.804
mse-gucc
14
C
60
H
18
738.804
mse-gucc
15
C
60
H
18
738.804
mse-gucc
16
C
60
H
18
738.804
mse-gucc
17
C
60
H
18
738.804
mse-gucc
18
C
60
H
18
738.804
mse-gucc
19
C
60
H
18
738.804
mse-gucc
20
C
60
H
18
738.804
mse-gucc
21
C
60
H
18
738.804
mse-gucc
22
C
60
H
18
738.804
mse-gucc
23
C
60
H
18
738.804
mse-gucc
24
C
60
H
18
738.804
mse-gucc
25
C
60
H
18
738.804
mse-gucc
26
C
60
H
18
738.804
mse-gucc
27
C
60
H
18
738.804
mse-gucc
28
C
60
H
18
738.804
mse-gucc
29
C
60
H
18
738.804
mse-gucc
30
C
60
H
18
738.804
mse-gucc
31
C
60
H
18
738.804
mse-gucc
32
C
60
H
18
738.804
mse-gucc
33
C
60
H
18
738.804
mse-gucc
34
C
60
H
18
738.804
mse-gucc
35
C
60
H
18
738.804
mse-gucc
36
C
60
H
18
738.804
mse-gucc
37
C
60
H
18
738.804
mse-gucc
38
C
60
H
18
738.804
mse-gucc
39
C
60
H
18
738.804
mse-gucc
40
C
60
H
18
738.804
mse-gucc
41
C
60
H
18
738.804
mse-gucc
42
C
60
H
18
738.804
mse-gucc
43
C
60
H
18
738.804
mse-gucc
44
C
60
H
18
738.804
mse-gucc
45
C
60
H
18
738.804
mse-gucc
46
C
60
H
18
738.804
mse-gucc
47
C
60
H
18
738.804
mse-gucc
48
C
60
H
18
738.804
mse-gucc
49
C
60
H
18
738.804
mse-gucc
50
C
60
H
18
738.804
mse-gucc
«
1
2
3
4
5
...
9
10
11
12
»