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 726-8 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)
Maximum force (fmax)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Maximum stress
✕
726
Au
16
Si
8
0.001
727
Au
16
Si
8
0.001
728
Au
16
Si
8
0.001
729
Au
16
Si
8
0.001
730
Au
16
Si
8
0.001
731
Au
16
Si
8
0.001
732
Au
16
Si
8
0.001
733
Au
16
Si
8
0.001
734
Au
16
Si
8
0.001
735
Au
16
Si
8
0.001
736
Au
16
Si
8
0.001
737
Au
16
Si
8
0.001
738
Au
16
Si
8
0.001
739
Au
16
Si
8
0.001
740
Au
16
Si
8
0.001
741
Au
16
Si
8
0.001
742
Au
16
Si
8
0.001
743
Au
16
Si
8
0.001
744
Au
16
Si
8
0.001
745
Au
16
Si
8
0.001
746
Au
20
Si
8
0.001
747
Au
8
Si
4
0.001
748
Au
8
Si
4
0.001
749
Au
8
Si
4
0.001
750
Au
8
Si
4
0.000
«
1
...
»