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 2126-8 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)
Number of atoms (natoms)
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
✕
Mass
✕
2126
Au
14
Si
8
2982.212
2127
Au
14
Si
8
2982.212
2128
Au
10
Si
4
2082.006
2129
Au
10
Si
4
2082.006
2130
Au
10
Si
4
2082.006
2131
Au
10
Si
4
2082.006
2132
Au
10
Si
4
2082.006
2133
Au
10
Si
4
2082.006
2134
Au
10
Si
4
2082.006
2135
Au
10
Si
4
2082.006
2136
Au
10
Si
4
2082.006
2137
Au
10
Si
4
2082.006
2138
Au
10
Si
4
2082.006
2139
Au
10
Si
4
2082.006
2140
Au
10
Si
4
2082.006
2141
Au
10
Si
4
2082.006
2142
Au
10
Si
4
2082.006
2143
Au
10
Si
4
2082.006
2144
Au
10
Si
4
2082.006
2145
Au
10
Si
4
2082.006
2146
Au
10
Si
4
2082.006
2147
Au
10
Si
4
2082.006
2148
Au
10
Si
4
2082.006
2149
Au
10
Si
4
2082.006
2150
Au
10
Si
4
2082.006
«
1
...
»