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
Time since creation (age)
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)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Mass
✕
Calculator
✕
1
C
60
H
24
744.852
vasp
2
C
60
H
24
744.852
vasp
3
C
60
H
24
744.852
vasp
4
C
60
H
24
744.852
vasp
5
C
60
H
24
744.852
vasp
6
C
60
H
24
744.852
vasp
7
C
60
H
24
744.852
vasp
8
C
60
H
24
744.852
vasp
9
C
60
H
24
744.852
vasp
10
C
60
H
24
744.852
vasp
11
C
60
H
24
744.852
vasp
12
C
60
H
24
744.852
vasp
13
C
60
H
24
744.852
vasp
14
C
60
H
24
744.852
vasp
15
C
60
H
24
744.852
vasp
16
C
60
H
24
744.852
vasp
17
C
60
H
24
744.852
vasp
18
C
60
H
24
744.852
vasp
19
C
60
H
24
744.852
vasp
20
C
60
H
24
744.852
vasp
21
C
60
H
24
744.852
vasp
22
C
60
H
24
744.852
vasp
23
C
60
H
24
744.852
vasp
24
C
60
H
24
744.852
vasp
25
C
60
H
24
744.852
vasp
«
1
2
3
4
5
...
14
15
16
17
»