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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 101-8 out of 8
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Au_rate
E
Time since creation (age)
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Periodic boundary conditions (pbc)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Number of atoms
✕
Charge
✕
Si_rate
✕
Maximum stress
✕
Calculator
✕
101
Au
10
Si
6
16
0.000
0.375
0.001
vasp
102
Au
10
Si
6
16
0.000
0.375
0.001
vasp
103
Au
10
Si
6
16
0.000
0.375
0.000
vasp
104
Au
10
Si
6
16
0.000
0.375
0.001
vasp
105
Au
10
Si
6
16
0.000
0.375
0.001
vasp
106
Au
10
Si
6
16
0.000
0.375
0.000
vasp
107
Au
10
Si
6
16
0.000
0.375
0.000
vasp
108
Au
10
Si
6
16
0.000
0.375
0.001
vasp
109
Au
10
Si
6
16
0.000
0.375
0.000
vasp
110
Au
10
Si
6
16
0.000
0.375
0.001
vasp
111
Au
10
Si
6
16
0.000
0.375
0.000
vasp
112
Au
10
Si
6
16
0.000
0.375
0.001
vasp
113
Au
10
Si
6
16
0.000
0.375
0.001
vasp
114
Au
10
Si
6
16
0.000
0.375
0.000
vasp
115
Au
10
Si
6
16
0.000
0.375
0.001
vasp
116
Au
10
Si
6
16
0.000
0.375
0.001
vasp
117
Au
10
Si
6
16
0.000
0.375
0.001
vasp
118
Au
10
Si
6
16
0.000
0.375
0.001
vasp
119
Au
10
Si
6
16
0.000
0.375
0.001
vasp
120
Au
10
Si
6
16
0.000
0.375
0.001
vasp
121
Au
10
Si
6
16
0.000
0.375
0.000
vasp
122
Au
10
Si
6
16
0.000
0.375
0.001
vasp
123
Au
10
Si
6
16
0.000
0.375
0.001
vasp
124
Au
10
Si
6
16
0.000
0.375
0.001
vasp
125
Au
8
Si
4
12
0.000
0.333
0.000
vasp
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