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 1976-17 out of 17
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)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
1976
Au
16
Si
8
2891.824
1977
Au
16
Si
8
2887.615
1978
Au
16
Si
8
2882.932
1979
Au
16
Si
8
2895.369
1980
Au
16
Si
8
2897.481
1981
Au
16
Si
8
2872.342
1982
Au
16
Si
8
2887.692
1983
Au
8
Si
4
1442.115
1984
Au
8
Si
4
1439.116
1985
Au
8
Si
4
1441.362
1986
Au
8
Si
4
1440.967
1987
Au
10
Si
4
1716.162
1988
Au
10
Si
4
1716.640
1989
Au
10
Si
4
1717.014
1990
Au
10
Si
4
1717.068
1991
Au
10
Si
4
1716.648
1992
Au
10
Si
4
1717.070
1993
Au
10
Si
4
1716.588
1994
Au
10
Si
4
1716.466
1995
Au
10
Si
4
1716.490
1996
Au
10
Si
4
1716.151
1997
Au
10
Si
4
1717.126
1998
Au
10
Si
4
1716.048
1999
Au
10
Si
4
1715.757
2000
Au
10
Si
4
1716.003
«
1
...
»