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)
Chemical formula (formula)
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
✕
Calculator
✕
Maximum force
✕
Mass
✕
1
vasp
0.010
17285.869
2
vasp
0.103
17285.869
3
vasp
0.514
17285.869
4
vasp
0.010
17285.869
5
vasp
0.777
17285.869
6
vasp
0.842
17285.869
7
vasp
0.043
17285.869
8
vasp
0.877
17285.869
9
vasp
0.009
17285.869
10
vasp
0.692
17285.869
11
vasp
0.295
17285.869
12
vasp
2.070
17285.869
13
vasp
0.668
17285.869
14
vasp
1.121
17285.869
15
vasp
0.866
17285.869
16
vasp
0.389
17285.869
17
vasp
0.062
17285.869
18
vasp
0.009
17285.869
19
vasp
0.008
17285.869
20
vasp
0.010
17285.869
21
vasp
1.042
17285.869
22
vasp
0.009
17285.869
23
vasp
0.008
17285.869
24
vasp
0.579
17285.869
25
vasp
0.010
17285.869
«
1
2
3
4
5
...
14
15
16
17
»