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 2051-18 out of 18
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
✕
2051
Au
10
Si
4
2082.006
2052
Au
10
Si
4
2082.006
2053
Au
10
Si
4
2082.006
2054
Au
10
Si
4
2082.006
2055
Au
10
Si
4
2082.006
2056
Au
10
Si
4
2082.006
2057
Au
10
Si
4
2082.006
2058
Au
10
Si
4
2082.006
2059
Au
10
Si
4
2082.006
2060
Au
10
Si
4
2082.006
2061
Au
10
Si
4
2082.006
2062
Au
10
Si
4
2082.006
2063
Au
10
Si
4
2082.006
2064
Au
10
Si
4
2082.006
2065
Au
10
Si
4
2082.006
2066
Au
10
Si
4
2082.006
2067
Au
10
Si
4
2082.006
2068
Au
10
Si
4
2082.006
2069
Au
10
Si
4
2082.006
2070
Au
10
Si
4
2082.006
2071
Au
16
Si
8
3376.145
2072
Au
16
Si
8
3376.145
2073
Au
16
Si
8
3376.145
2074
Au
16
Si
8
3376.145
2075
Au
16
Si
8
3376.145
«
1
...
»