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)
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Magnetic moment (magmom)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_num
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Maximum stress
✕
Mass
✕
Charge
✕
Calculator
✕
1
0.000
17285.869
0.000
vasp
2
0.000
17285.869
0.000
vasp
3
0.001
17285.869
0.000
vasp
4
0.000
17285.869
0.000
vasp
5
0.001
17285.869
0.000
vasp
6
0.001
17285.869
0.000
vasp
7
0.000
17285.869
0.000
vasp
8
0.001
17285.869
0.000
vasp
9
0.000
17285.869
0.000
vasp
10
0.001
17285.869
0.000
vasp
11
0.001
17285.869
0.000
vasp
12
0.001
17285.869
0.000
vasp
13
0.002
17285.869
0.000
vasp
14
0.005
17285.869
0.000
vasp
15
0.001
17285.869
0.000
vasp
16
0.001
17285.869
0.000
vasp
17
0.000
17285.869
0.000
vasp
18
0.000
17285.869
0.000
vasp
19
0.000
17285.869
0.000
vasp
20
0.000
17285.869
0.000
vasp
21
0.003
17285.869
0.000
vasp
22
0.000
17285.869
0.000
vasp
23
0.000
17285.869
0.000
vasp
24
0.001
17285.869
0.000
vasp
25
0.000
17285.869
0.000
vasp
«
1
2
3
4
5
...
14
15
16
17
»