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 751-31 out of 31
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
✕
751
Au
8
Si
4
0.006
752
Au
8
Si
4
0.006
753
Au
8
Si
4
0.008
754
Au
8
Si
4
0.006
755
Au
8
Si
4
0.006
756
Au
8
Si
4
0.010
757
Au
8
Si
4
0.011
758
Au
8
Si
4
0.009
759
Au
8
Si
4
0.007
760
Au
8
Si
4
0.010
761
Au
8
Si
4
0.006
762
Au
8
Si
4
0.003
763
Au
8
Si
4
0.009
764
Au
8
Si
4
0.005
765
Au
8
Si
4
0.004
766
Au
8
Si
4
0.007
767
Au
8
Si
4
0.007
768
Au
8
Si
4
0.010
769
Au
8
Si
4
0.007
770
Au
8
Si
4
0.009
771
Au
8
Si
4
0.006
772
Au
8
Si
4
0.009
773
Au
8
Si
4
0.010
774
Au
8
Si
4
0.009
775
Au
8
Si
4
0.007
«
1
2
...
»