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
perms_num
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 1-10 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)
Total energy (energy)
Chemical formula (formula)
Magnetic moment (magmom)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_num
Username (user)
Volume of unit cell (volume)
Rows: 10
10
25
50
100
200
↓
ID
✕
Charge
✕
Mass
✕
Maximum stress
✕
Maximum force
✕
1
0.000
17285.869
0.000
0.010
2
0.000
17285.869
0.000
0.103
3
0.000
17285.869
0.001
0.514
4
0.000
17285.869
0.000
0.010
5
0.000
17285.869
0.001
0.777
6
0.000
17285.869
0.001
0.842
7
0.000
17285.869
0.000
0.043
8
0.000
17285.869
0.001
0.877
9
0.000
17285.869
0.000
0.009
10
0.000
17285.869
0.001
0.692
«
1
2
3
4
»