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 1-17 out of 17
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Time since creation (age)
Net charge in unit cell (charge)
Maximum force (fmax)
Chemical formula (formula)
Uniqe row ID (id)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Username (user)
Rows: 25
10
25
50
100
200
Energy
✕
Calculator
✕
Volume
✕
-186.489
vasp
1350.429
-224.231
vasp
1610.767
-99.359
vasp
1073.421
-262.002
vasp
1848.329
-299.763
vasp
2127.808
-74.778
vasp
799.518
-137.168
vasp
1455.555
-136.877
vasp
1454.769
-262.074
vasp
1865.752
-299.820
vasp
2119.239
-337.609
vasp
2392.389
-112.169
vasp
1181.800
-337.635
vasp
2379.258
-375.361
vasp
2646.235
-149.943
vasp
1562.841
-187.661
vasp
1323.935
-225.498
vasp
1585.469
«
1
»