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 676-700 out of 2180
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
✕
676
Au
16
Si
8
677
Au
16
Si
8
678
Au
16
Si
8
679
Au
16
Si
8
680
Au
16
Si
8
681
Au
16
Si
8
682
Au
16
Si
8
683
Au
16
Si
8
684
Au
16
Si
8
685
Au
16
Si
8
686
Au
16
Si
8
687
Au
16
Si
8
688
Au
16
Si
8
689
Au
16
Si
8
690
Au
16
Si
8
691
Au
16
Si
8
692
Au
16
Si
8
693
Au
16
Si
8
694
Au
16
Si
8
695
Au
16
Si
8
696
Au
16
Si
8
697
Au
16
Si
8
698
Au
16
Si
8
699
Au
16
Si
8
700
Au
16
Si
8
«
1
2
3
4
5
...
24
25
26
27
28
29
30
31
32
...
85
86
87
88
»