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
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 31
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Time since creation (age)
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)
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Volume
✕
Maximum stress
✕
1
1093.981
0.001
2
1094.439
0.001
3
1093.377
0.002
4
1095.676
0.000
5
1094.175
0.001
6
1094.384
0.001
7
1093.778
0.002
8
1094.332
0.001
9
1094.034
0.001
10
1094.303
0.001
11
1095.212
0.000
12
1093.835
0.001
13
1095.642
0.000
14
1095.350
0.000
15
1093.720
0.001
16
1095.386
0.001
17
1093.543
0.001
18
1094.507
0.000
«
1
2
»