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
gap
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
symmetry_op_number
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)
Maximum force (fmax)
gap
Magnetic moment (magmom)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
symmetry_op_number
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Maximum stress
✕
Mass
✕
1
BC
58
N
0.000
721.455
2
BC
58
N
0.000
721.455
3
BC
58
N
0.000
721.455
4
BC
58
N
0.000
721.455
5
BC
58
N
0.000
721.455
6
BC
58
N
0.000
721.455
7
BC
58
N
0.000
721.455
8
BC
58
N
0.000
721.455
9
BC
58
N
0.000
721.455
10
BC
58
N
0.000
721.455
11
BC
58
N
0.000
721.455
12
BC
58
N
0.000
721.455
13
BC
58
N
0.000
721.455
14
BC
58
N
0.000
721.455
15
BC
58
N
0.000
721.455
16
BC
58
N
0.000
721.455
17
BC
58
N
0.000
721.455
18
BC
58
N
0.000
721.455
19
BC
58
N
0.000
721.455
20
BC
58
N
0.000
721.455
21
BC
58
N
0.000
721.455
22
BC
58
N
0.000
721.455
23
BC
58
N
0.000
721.455
24
BC
58
N
0.000
721.455
25
BC
58
N
0.000
721.455
«
1
»