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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 2151-8 out of 8
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Au_rate
E
Time since creation (age)
ASE-calculator name (calculator)
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
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
✕
Number of atoms
✕
Charge
✕
Si_rate
✕
2151
Au
10
Si
4
14
0.000
0.286
2152
Au
10
Si
4
14
0.000
0.286
2153
Au
10
Si
4
14
0.000
0.286
2154
Au
10
Si
4
14
0.000
0.286
2155
Au
10
Si
4
14
0.000
0.286
2156
Au
10
Si
4
14
0.000
0.286
2157
Au
10
Si
4
14
0.000
0.286
2158
Au
10
Si
4
14
0.000
0.286
2159
Au
10
Si
4
14
0.000
0.286
2160
Au
10
Si
4
14
0.000
0.286
2161
Au
10
Si
4
14
0.000
0.286
2162
Au
10
Si
4
14
0.000
0.286
2163
Au
10
Si
4
14
0.000
0.286
2164
Au
10
Si
4
14
0.000
0.286
2165
Au
20
Si
8
28
0.000
0.286
2166
Au
20
Si
8
28
0.000
0.286
2167
Au
20
Si
8
28
0.000
0.286
2168
Au
20
Si
8
28
0.000
0.286
2169
Au
20
Si
8
28
0.000
0.286
2170
Au
20
Si
8
28
0.000
0.286
2171
Au
20
Si
8
28
0.000
0.286
2172
Au
20
Si
8
28
0.000
0.286
2173
Au
20
Si
8
28
0.000
0.286
2174
Au
20
Si
8
28
0.000
0.286
2175
Au
20
Si
8
28
0.000
0.286
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