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 776-517 out of 517
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)
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
✕
Energy
✕
776
Au
8
Si
4
-43.754
777
Au
8
Si
4
-43.755
778
Au
8
Si
4
-43.755
779
Au
8
Si
4
-43.754
780
Au
8
Si
4
-43.726
781
Au
8
Si
4
-43.754
782
Au
8
Si
4
-43.748
783
Au
8
Si
4
-43.755
784
Au
8
Si
4
-43.753
785
Au
8
Si
4
-43.753
786
Au
8
Si
4
-43.754
787
Au
8
Si
4
-43.756
788
Au
8
Si
4
-43.753
789
Au
8
Si
4
-43.754
790
Au
8
Si
4
-43.756
791
Au
8
Si
4
-43.758
792
Au
8
Si
4
-43.756
793
Au
8
Si
4
-43.752
794
Au
8
Si
4
-43.754
795
Au
8
Si
4
-43.729
796
Au
8
Si
4
-43.756
797
Au
8
Si
4
-43.727
798
Au
8
Si
4
-43.719
799
Au
8
Si
4
-43.755
800
Au
8
Si
4
-43.724
«
1
2
3
4
5
...
»