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 1976-2000 out of 2180
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)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
1976
Au
16
Si
8
1977
Au
16
Si
8
1978
Au
16
Si
8
1979
Au
16
Si
8
1980
Au
16
Si
8
1981
Au
16
Si
8
1982
Au
16
Si
8
1983
Au
8
Si
4
1984
Au
8
Si
4
1985
Au
8
Si
4
1986
Au
8
Si
4
1987
Au
10
Si
4
1988
Au
10
Si
4
1989
Au
10
Si
4
1990
Au
10
Si
4
1991
Au
10
Si
4
1992
Au
10
Si
4
1993
Au
10
Si
4
1994
Au
10
Si
4
1995
Au
10
Si
4
1996
Au
10
Si
4
1997
Au
10
Si
4
1998
Au
10
Si
4
1999
Au
10
Si
4
2000
Au
10
Si
4
«
1
2
3
4
5
...
76
77
78
79
80
81
82
83
84
85
86
87
88
»