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 1-25 out of 414
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
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: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Username
✕
Mass
✕
Age
✕
1
C
60
H
24
mse-gucc
744.852
53M
2
C
60
H
24
mse-gucc
744.852
53M
3
C
60
H
24
mse-gucc
744.852
53M
4
C
60
H
24
mse-gucc
744.852
53M
5
C
60
H
24
mse-gucc
744.852
53M
6
C
60
H
24
mse-gucc
744.852
53M
7
C
60
H
24
mse-gucc
744.852
53M
8
C
60
H
24
mse-gucc
744.852
53M
9
C
60
H
24
mse-gucc
744.852
53M
10
C
60
H
24
mse-gucc
744.852
53M
11
C
60
H
24
mse-gucc
744.852
53M
12
C
60
H
24
mse-gucc
744.852
53M
13
C
60
H
24
mse-gucc
744.852
53M
14
C
60
H
24
mse-gucc
744.852
53M
15
C
60
H
24
mse-gucc
744.852
53M
16
C
60
H
24
mse-gucc
744.852
53M
17
C
60
H
24
mse-gucc
744.852
53M
18
C
60
H
24
mse-gucc
744.852
53M
19
C
60
H
24
mse-gucc
744.852
53M
20
C
60
H
24
mse-gucc
744.852
53M
21
C
60
H
24
mse-gucc
744.852
53M
22
C
60
H
24
mse-gucc
744.852
53M
23
C
60
H
24
mse-gucc
744.852
53M
24
C
60
H
24
mse-gucc
744.852
53M
25
C
60
H
24
mse-gucc
744.852
53M
«
1
2
3
4
5
...
14
15
16
17
»