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 801-594 out of 594
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
✕
801
Au
8
Si
4
802
Au
8
Si
4
803
Au
8
Si
4
804
Au
8
Si
4
805
Au
10
Si
4
806
Au
16
Si
8
807
Au
16
Si
8
808
Au
16
Si
8
809
Au
16
Si
8
810
Au
16
Si
8
811
Au
16
Si
8
812
Au
16
Si
8
813
Au
16
Si
8
814
Au
16
Si
8
815
Au
16
Si
8
816
Au
16
Si
8
817
Au
16
Si
8
818
Au
8
Si
4
819
Au
8
Si
4
820
Au
8
Si
4
821
Au
8
Si
4
822
Au
8
Si
4
823
Au
8
Si
4
824
Au
8
Si
4
825
Au
8
Si
4
«
1
2
3
4
5
...
»