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 1051-8 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)
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
✕
Charge
✕
1051
Au
8
Si
4
0.000
1052
Au
8
Si
4
0.000
1053
Au
8
Si
4
0.000
1054
Au
8
Si
4
0.000
1055
Au
8
Si
4
0.000
1056
Au
8
Si
4
0.000
1057
Au
8
Si
4
0.000
1058
Au
8
Si
4
0.000
1059
Au
8
Si
4
0.000
1060
Au
8
Si
4
0.000
1061
Au
8
Si
4
0.000
1062
Au
8
Si
4
0.000
1063
Au
8
Si
4
0.000
1064
Au
8
Si
4
0.000
1065
Au
8
Si
4
0.000
1066
Au
8
Si
4
0.000
1067
Au
8
Si
4
0.000
1068
Au
8
Si
4
0.000
1069
Au
8
Si
4
0.000
1070
Au
8
Si
4
0.000
1071
Au
8
Si
4
0.000
1072
Au
8
Si
4
0.000
1073
Au
8
Si
4
0.000
1074
Au
8
Si
4
0.000
1075
Au
8
Si
4
0.000
«
1
...
»