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)
Sum of atomic masses in unit cell (mass)
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
✕
Age
✕
Username
✕
1
C
60
H
24
57M
mse-gucc
2
C
60
H
24
57M
mse-gucc
3
C
60
H
24
57M
mse-gucc
4
C
60
H
24
57M
mse-gucc
5
C
60
H
24
57M
mse-gucc
6
C
60
H
24
57M
mse-gucc
7
C
60
H
24
57M
mse-gucc
8
C
60
H
24
57M
mse-gucc
9
C
60
H
24
57M
mse-gucc
10
C
60
H
24
57M
mse-gucc
11
C
60
H
24
57M
mse-gucc
12
C
60
H
24
57M
mse-gucc
13
C
60
H
24
57M
mse-gucc
14
C
60
H
24
57M
mse-gucc
15
C
60
H
24
57M
mse-gucc
16
C
60
H
24
57M
mse-gucc
17
C
60
H
24
57M
mse-gucc
18
C
60
H
24
57M
mse-gucc
19
C
60
H
24
57M
mse-gucc
20
C
60
H
24
57M
mse-gucc
21
C
60
H
24
57M
mse-gucc
22
C
60
H
24
57M
mse-gucc
23
C
60
H
24
57M
mse-gucc
24
C
60
H
24
57M
mse-gucc
25
C
60
H
24
57M
mse-gucc
«
1
2
3
4
5
...
14
15
16
17
»