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 626-17 out of 17
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)
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
✕
Mass
✕
626
Au
8
Si
4
1688.073
627
Au
8
Si
4
1688.073
628
Au
8
Si
4
1688.073
629
Au
8
Si
4
1688.073
630
Au
8
Si
4
1688.073
631
Au
8
Si
4
1688.073
632
Au
8
Si
4
1688.073
633
Au
8
Si
4
1688.073
634
Au
8
Si
4
1688.073
635
Au
8
Si
4
1688.073
636
Au
8
Si
4
1688.073
637
Au
8
Si
4
1688.073
638
Au
8
Si
4
1688.073
639
Au
8
Si
4
1688.073
640
Au
8
Si
4
1688.073
641
Au
8
Si
4
1688.073
642
Au
8
Si
4
1688.073
643
Au
8
Si
4
1688.073
644
Au
10
Si
4
2082.006
645
Au
10
Si
4
2082.006
646
Au
10
Si
4
2082.006
647
Au
10
Si
4
2082.006
648
Au
10
Si
4
2082.006
649
Au
10
Si
4
2082.006
650
Au
10
Si
4
2082.006
«
1
...
»