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 1726-17 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)
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
✕
Energy
✕
1726
Au
10
Si
4
-50.038
1727
Au
10
Si
4
-50.038
1728
Au
10
Si
4
-50.038
1729
Au
10
Si
4
-50.024
1730
Au
10
Si
4
-50.030
1731
Au
10
Si
4
-50.032
1732
Au
10
Si
4
-50.036
1733
Au
10
Si
4
-50.036
1734
Au
10
Si
4
-50.023
1735
Au
10
Si
4
-50.034
1736
Au
10
Si
4
-50.040
1737
Au
10
Si
4
-50.043
1738
Au
10
Si
4
-50.041
1739
Au
10
Si
4
-50.040
1740
Au
10
Si
4
-50.030
1741
Au
10
Si
4
-50.040
1742
Au
10
Si
4
-50.038
1743
Au
10
Si
4
-50.043
1744
Au
10
Si
4
-50.042
1745
Au
10
Si
4
-50.030
1746
Au
10
Si
4
-50.027
1747
Au
10
Si
4
-50.031
1748
Au
10
Si
4
-50.021
1749
Au
10
Si
4
-50.047
1750
Au
10
Si
4
-50.033
«
1
...
»