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 1051-517 out of 517
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Au_rate
E
Si_rate
Time since creation (age)
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
✕
Calculator
✕
1051
Au
8
Si
4
vasp
1052
Au
8
Si
4
vasp
1053
Au
8
Si
4
vasp
1054
Au
8
Si
4
vasp
1055
Au
8
Si
4
vasp
1056
Au
8
Si
4
vasp
1057
Au
8
Si
4
vasp
1058
Au
8
Si
4
vasp
1059
Au
8
Si
4
vasp
1060
Au
8
Si
4
vasp
1061
Au
8
Si
4
vasp
1062
Au
8
Si
4
vasp
1063
Au
8
Si
4
vasp
1064
Au
8
Si
4
vasp
1065
Au
8
Si
4
vasp
1066
Au
8
Si
4
vasp
1067
Au
8
Si
4
vasp
1068
Au
8
Si
4
vasp
1069
Au
8
Si
4
vasp
1070
Au
8
Si
4
vasp
1071
Au
8
Si
4
vasp
1072
Au
8
Si
4
vasp
1073
Au
8
Si
4
vasp
1074
Au
8
Si
4
vasp
1075
Au
8
Si
4
vasp
«
1
2
3
4
5
...
»