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)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Chemical formula (formula)
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)
Rows: 25
10
25
50
100
200
↓
ID
✕
Username
✕
Volume
✕
Maximum force
✕
1
hecc
1350.429
0.340
2
hecc
1610.767
0.343
3
hecc
1073.421
0.278
4
hecc
1848.329
0.333
5
hecc
2127.808
0.322
6
hecc
799.518
0.808
7
hecc
1455.555
0.323
8
hecc
1454.769
0.543
9
hecc
1865.752
0.270
10
hecc
2119.239
0.231
11
hecc
2392.389
0.258
12
hecc
1181.800
0.292
13
hecc
2379.258
0.277
14
hecc
2646.235
0.286
15
hecc
1562.841
0.244
16
hecc
1323.935
0.279
17
hecc
1585.469
0.252
«
1
»