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 1-8 out of 8
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
✕
1
Au
10
Si
4
1721.197
2
Au
10
Si
4
1721.698
3
Au
10
Si
4
1721.546
4
Au
10
Si
4
1721.917
5
Au
10
Si
4
1721.976
6
Au
10
Si
4
1722.204
7
Au
10
Si
4
1721.182
8
Au
10
Si
4
1721.820
9
Au
10
Si
4
1721.837
10
Au
10
Si
4
1722.012
11
Au
10
Si
4
1721.615
12
Au
10
Si
4
1721.920
13
Au
10
Si
4
1721.786
14
Au
10
Si
4
1721.839
15
Au
10
Si
4
1721.958
16
Au
10
Si
4
1721.838
17
Au
10
Si
4
1721.682
18
Au
10
Si
4
1722.102
19
Au
10
Si
4
1722.038
20
Au
10
Si
4
1721.957
21
Au
10
Si
4
1721.997
22
Au
10
Si
4
1721.932
23
Au
10
Si
4
1721.981
24
Au
10
Si
4
1721.120
25
Au
10
Si
4
1721.904
«
1
»