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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 26-8 out of 8
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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Charge
✕
Number of atoms
✕
Mass
✕
26
Au
10
Si
4
0.000
14
2082.006
27
Au
10
Si
4
0.000
14
2082.006
28
Au
10
Si
4
0.000
14
2082.006
29
Au
10
Si
4
0.000
14
2082.006
30
Au
10
Si
4
0.000
14
2082.006
31
Au
10
Si
4
0.000
14
2082.006
32
Au
10
Si
4
0.000
14
2082.006
33
Au
10
Si
4
0.000
14
2082.006
34
Au
10
Si
4
0.000
14
2082.006
35
Au
10
Si
4
0.000
14
2082.006
36
Au
10
Si
4
0.000
14
2082.006
37
Au
10
Si
4
0.000
14
2082.006
38
Au
10
Si
4
0.000
14
2082.006
39
Au
10
Si
4
0.000
14
2082.006
40
Au
10
Si
4
0.000
14
2082.006
41
Au
10
Si
4
0.000
14
2082.006
42
Au
10
Si
4
0.000
14
2082.006
43
Au
10
Si
4
0.000
14
2082.006
44
Au
10
Si
4
0.000
14
2082.006
45
Au
10
Si
4
0.000
14
2082.006
46
Au
10
Si
4
0.000
14
2082.006
47
Au
10
Si
4
0.000
14
2082.006
48
Au
10
Si
4
0.000
14
2082.006
49
Au
10
Si
4
0.000
14
2082.006
50
Au
10
Si
4
0.000
14
2082.006
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