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 2151-594 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)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
2151
Au
10
Si
4
1721.671
2152
Au
10
Si
4
1721.882
2153
Au
10
Si
4
1721.904
2154
Au
10
Si
4
1721.627
2155
Au
10
Si
4
1722.046
2156
Au
10
Si
4
1721.545
2157
Au
10
Si
4
1721.455
2158
Au
10
Si
4
1721.988
2159
Au
10
Si
4
1722.266
2160
Au
10
Si
4
1721.661
2161
Au
10
Si
4
1721.817
2162
Au
10
Si
4
1721.781
2163
Au
10
Si
4
1721.511
2164
Au
10
Si
4
1722.128
2165
Au
20
Si
8
3441.466
2166
Au
20
Si
8
3442.059
2167
Au
20
Si
8
3441.406
2168
Au
20
Si
8
3441.087
2169
Au
20
Si
8
3442.423
2170
Au
20
Si
8
3441.220
2171
Au
20
Si
8
3442.681
2172
Au
20
Si
8
3442.024
2173
Au
20
Si
8
3442.666
2174
Au
20
Si
8
3441.932
2175
Au
20
Si
8
3442.444
«
1
2
3
4
5
...
»