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 876-17 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
✕
876
Au
8
Si
4
1688.073
877
Au
8
Si
4
1688.073
878
Au
8
Si
4
1688.073
879
Au
8
Si
4
1688.073
880
Au
8
Si
4
1688.073
881
Au
8
Si
4
1688.073
882
Au
8
Si
4
1688.073
883
Au
8
Si
4
1688.073
884
Au
8
Si
4
1688.073
885
Au
8
Si
4
1688.073
886
Au
8
Si
4
1688.073
887
Au
8
Si
4
1688.073
888
Au
8
Si
4
1688.073
889
Au
8
Si
4
1688.073
890
Au
8
Si
4
1688.073
891
Au
8
Si
4
1688.073
892
Au
8
Si
4
1688.073
893
Au
8
Si
4
1688.073
894
Au
8
Si
4
1688.073
895
Au
8
Si
4
1688.073
896
Au
8
Si
4
1688.073
897
Au
8
Si
4
1688.073
898
Au
8
Si
4
1688.073
899
Au
8
Si
4
1688.073
900
Au
8
Si
4
1688.073
«
1
...
»