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
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
✕
E
✕
2151
Au
10
Si
4
1721.671
0.236
2152
Au
10
Si
4
1721.882
0.237
2153
Au
10
Si
4
1721.904
0.236
2154
Au
10
Si
4
1721.627
0.236
2155
Au
10
Si
4
1722.046
0.237
2156
Au
10
Si
4
1721.545
0.236
2157
Au
10
Si
4
1721.455
0.236
2158
Au
10
Si
4
1721.988
0.237
2159
Au
10
Si
4
1722.266
0.236
2160
Au
10
Si
4
1721.661
0.236
2161
Au
10
Si
4
1721.817
0.236
2162
Au
10
Si
4
1721.781
0.236
2163
Au
10
Si
4
1721.511
0.236
2164
Au
10
Si
4
1722.128
0.236
2165
Au
20
Si
8
3441.466
0.233
2166
Au
20
Si
8
3442.059
0.233
2167
Au
20
Si
8
3441.406
0.234
2168
Au
20
Si
8
3441.087
0.234
2169
Au
20
Si
8
3442.423
0.233
2170
Au
20
Si
8
3441.220
0.233
2171
Au
20
Si
8
3442.681
0.233
2172
Au
20
Si
8
3442.024
0.233
2173
Au
20
Si
8
3442.666
0.233
2174
Au
20
Si
8
3441.932
0.234
2175
Au
20
Si
8
3442.444
0.234
«
1
2
3
4
5
...
»