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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 76-8 out of 8
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Au_rate
Si_rate
Time since creation (age)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
Uniqe row ID (id)
Magnetic moment (magmom)
Periodic boundary conditions (pbc)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
Formula
✕
Number of atoms
✕
Mass
✕
E
✕
Maximum stress
✕
Calculator
✕
Au
10
Si
4
14
2082.006
0.237
0.001
vasp
Au
10
Si
4
14
2082.006
0.236
0.001
vasp
Au
10
Si
4
14
2082.006
0.236
0.001
vasp
Au
10
Si
4
14
2082.006
0.236
0.001
vasp
Au
10
Si
4
14
2082.006
0.236
0.001
vasp
Au
10
Si
4
14
2082.006
0.237
0.001
vasp
Au
10
Si
4
14
2082.006
0.236
0.001
vasp
Au
10
Si
4
14
2082.006
0.236
0.000
vasp
Au
10
Si
4
14
2082.006
0.237
0.001
vasp
Au
10
Si
4
14
2082.006
0.237
0.001
vasp
Au
10
Si
4
14
2082.006
0.236
0.001
vasp
Au
10
Si
4
14
2082.006
0.236
0.001
vasp
Au
10
Si
4
14
2082.006
0.237
0.001
vasp
Au
20
Si
8
28
4164.011
0.233
0.001
vasp
Au
10
Si
6
16
2138.176
0.303
0.001
vasp
Au
10
Si
6
16
2138.176
0.303
0.001
vasp
Au
10
Si
6
16
2138.176
0.303
0.001
vasp
Au
10
Si
6
16
2138.176
0.303
0.001
vasp
Au
10
Si
6
16
2138.176
0.303
0.001
vasp
Au
10
Si
6
16
2138.176
0.303
0.001
vasp
Au
10
Si
6
16
2138.176
0.303
0.001
vasp
Au
10
Si
6
16
2138.176
0.303
0.001
vasp
Au
10
Si
6
16
2138.176
0.303
0.000
vasp
Au
10
Si
6
16
2138.176
0.303
0.001
vasp
Au
10
Si
6
16
2138.176
0.303
0.001
vasp
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