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)
Chemical formula (formula)
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
✕
Volume
✕
Maximum stress
✕
Age
✕
1
8000.000
0.000
53M
2
7502.572
0.000
53M
3
4843.699
0.001
53M
4
8000.000
0.000
53M
5
4901.317
0.001
53M
6
3491.818
0.001
53M
7
7583.240
0.000
53M
8
4326.471
0.001
53M
9
8000.000
0.000
53M
10
3306.728
0.001
53M
11
3208.464
0.001
53M
12
4843.897
0.001
53M
13
4350.536
0.002
53M
14
4919.381
0.005
53M
15
5597.694
0.001
53M
16
4564.732
0.001
53M
17
7498.766
0.000
53M
18
8000.000
0.000
53M
19
8000.000
0.000
53M
20
8000.000
0.000
53M
21
5184.820
0.003
53M
22
8000.000
0.000
53M
23
8000.000
0.000
53M
24
4740.028
0.001
53M
25
8000.000
0.000
53M
«
1
2
3
4
5
...
14
15
16
17
»