Home
SAGAR
Database
MATLAB-code
ASE database
Help with constructing advanced search queries ...
Toggle list of keys ...
Au_rate
E
Si_rate
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 2026-8 out of 8
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
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)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Maximum force
✕
2026
Au
10
Si
4
0.004
2027
Au
10
Si
4
0.009
2028
Au
10
Si
4
0.009
2029
Au
10
Si
4
0.006
2030
Au
10
Si
4
0.010
2031
Au
10
Si
4
0.007
2032
Au
10
Si
4
0.007
2033
Au
10
Si
4
0.010
2034
Au
10
Si
4
0.006
2035
Au
10
Si
4
0.005
2036
Au
10
Si
4
0.006
2037
Au
10
Si
4
0.010
2038
Au
10
Si
4
0.009
2039
Au
10
Si
4
0.010
2040
Au
10
Si
4
0.004
2041
Au
10
Si
4
0.003
2042
Au
10
Si
4
0.009
2043
Au
10
Si
4
0.006
2044
Au
10
Si
4
0.007
2045
Au
10
Si
4
0.006
2046
Au
10
Si
4
0.009
2047
Au
10
Si
4
0.010
2048
Au
10
Si
4
0.006
2049
Au
10
Si
4
0.005
2050
Au
10
Si
4
0.005
«
1
...
»