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 476-127 out of 127
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)
Maximum force (fmax)
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
✕
1705
Au
10
Si
4
1704
Au
10
Si
4
1703
Au
10
Si
4
1702
Au
10
Si
4
1701
Au
10
Si
4
1700
Au
10
Si
4
1699
Au
10
Si
4
1698
Au
10
Si
4
1697
Au
10
Si
4
1696
Au
10
Si
4
1695
Au
10
Si
4
1694
Au
10
Si
4
1693
Au
10
Si
4
1692
Au
10
Si
4
1691
Au
10
Si
4
1690
Au
10
Si
4
1689
Au
10
Si
4
1688
Au
10
Si
4
1687
Au
10
Si
4
1686
Au
10
Si
4
1685
Au
10
Si
4
1684
Au
10
Si
4
1683
Au
10
Si
4
1682
Au
10
Si
4
1681
Au
10
Si
4
«
1
2
3
4
5
...
»