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 1-25 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)
Maximum force (fmax)
gap
Uniqe row ID (id)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
symmetry_op_number
Username (user)
Rows: 25
10
25
50
100
200
Formula
✕
Volume
✕
Charge
✕
Energy
✕
Number of atoms
✕
BC
58
N
8000.000
0.000
-527.448
60
BC
58
N
8000.000
0.000
-527.502
60
BC
58
N
8000.000
0.000
-528.287
60
BC
58
N
8000.000
0.000
-528.667
60
BC
58
N
8000.000
0.000
-527.428
60
BC
58
N
8000.000
0.000
-527.178
60
BC
58
N
8000.000
0.000
-527.244
60
BC
58
N
8000.000
0.000
-527.274
60
BC
58
N
8000.000
0.000
-527.248
60
BC
58
N
8000.000
0.000
-527.329
60
BC
58
N
8000.000
0.000
-527.099
60
BC
58
N
8000.000
0.000
-527.015
60
BC
58
N
8000.000
0.000
-527.133
60
BC
58
N
8000.000
0.000
-527.167
60
BC
58
N
8000.000
0.000
-526.968
60
BC
58
N
8000.000
0.000
-527.191
60
BC
58
N
8000.000
0.000
-527.246
60
BC
58
N
8000.000
0.000
-527.002
60
BC
58
N
8000.000
0.000
-527.048
60
BC
58
N
8000.000
0.000
-526.957
60
BC
58
N
8000.000
0.000
-527.048
60
BC
58
N
8000.000
0.000
-526.981
60
BC
58
N
8000.000
0.000
-526.933
60
BC
58
N
8000.000
0.000
-527.088
60
BC
58
N
8000.000
0.000
-526.905
60
«
1
2
»