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 626-517 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)
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
✕
Charge
✕
626
Au
8
Si
4
0.000
627
Au
8
Si
4
0.000
628
Au
8
Si
4
0.000
629
Au
8
Si
4
0.000
630
Au
8
Si
4
0.000
631
Au
8
Si
4
0.000
632
Au
8
Si
4
0.000
633
Au
8
Si
4
0.000
634
Au
8
Si
4
0.000
635
Au
8
Si
4
0.000
636
Au
8
Si
4
0.000
637
Au
8
Si
4
0.000
638
Au
8
Si
4
0.000
639
Au
8
Si
4
0.000
640
Au
8
Si
4
0.000
641
Au
8
Si
4
0.000
642
Au
8
Si
4
0.000
643
Au
8
Si
4
0.000
644
Au
10
Si
4
0.000
645
Au
10
Si
4
0.000
646
Au
10
Si
4
0.000
647
Au
10
Si
4
0.000
648
Au
10
Si
4
0.000
649
Au
10
Si
4
0.000
650
Au
10
Si
4
0.000
«
1
2
3
4
5
...
»