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 1-25 out of 2180
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)
Uniqe row ID (id)
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)
Rows: 25
10
25
50
100
200
Formula
✕
Username
✕
Maximum force
✕
Volume
✕
Au
10
Si
4
yangxb
0.009
1721.197
Au
10
Si
4
yangxb
0.005
1721.698
Au
10
Si
4
yangxb
0.006
1721.546
Au
10
Si
4
yangxb
0.009
1721.917
Au
10
Si
4
yangxb
0.008
1721.976
Au
10
Si
4
yangxb
0.009
1722.204
Au
10
Si
4
yangxb
0.006
1721.182
Au
10
Si
4
yangxb
0.004
1721.820
Au
10
Si
4
yangxb
0.005
1721.837
Au
10
Si
4
yangxb
0.008
1722.012
Au
10
Si
4
yangxb
0.017
1721.615
Au
10
Si
4
yangxb
0.006
1721.920
Au
10
Si
4
yangxb
0.006
1721.786
Au
10
Si
4
yangxb
0.008
1721.839
Au
10
Si
4
yangxb
0.006
1721.958
Au
10
Si
4
yangxb
0.009
1721.838
Au
10
Si
4
yangxb
0.006
1721.682
Au
10
Si
4
yangxb
0.003
1722.102
Au
10
Si
4
yangxb
0.007
1722.038
Au
10
Si
4
yangxb
0.009
1721.957
Au
10
Si
4
yangxb
0.007
1721.997
Au
10
Si
4
yangxb
0.004
1721.932
Au
10
Si
4
yangxb
0.006
1721.981
Au
10
Si
4
yangxb
0.010
1721.120
Au
10
Si
4
yangxb
0.007
1721.904
«
1
2
3
4
5
...
85
86
87
88
»