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 1751-31 out of 31
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)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
PBC
✕
1751
Au
10
Si
4
TTT
1752
Au
10
Si
4
TTT
1753
Au
10
Si
4
TTT
1754
Au
10
Si
4
TTT
1755
Au
10
Si
4
TTT
1756
Au
10
Si
4
TTT
1757
Au
10
Si
4
TTT
1758
Au
10
Si
4
TTT
1759
Au
10
Si
4
TTT
1760
Au
10
Si
4
TTT
1761
Au
10
Si
4
TTT
1762
Au
10
Si
4
TTT
1763
Au
10
Si
4
TTT
1764
Au
10
Si
4
TTT
1765
Au
10
Si
4
TTT
1766
Au
10
Si
4
TTT
1767
Au
10
Si
4
TTT
1768
Au
10
Si
4
TTT
1769
Au
10
Si
4
TTT
1770
Au
10
Si
4
TTT
1771
Au
10
Si
4
TTT
1772
Au
10
Si
4
TTT
1773
Au
10
Si
4
TTT
1774
Au
10
Si
4
TTT
1775
Au
10
Si
4
TTT
«
1
2
...
»