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 976-517 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)
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
✕
976
Au
8
Si
4
0.000
977
Au
8
Si
4
0.000
978
Au
8
Si
4
0.000
979
Au
8
Si
4
0.000
980
Au
8
Si
4
0.000
981
Au
8
Si
4
0.000
982
Au
8
Si
4
0.000
983
Au
8
Si
4
0.000
984
Au
8
Si
4
0.000
985
Au
8
Si
4
0.000
986
Au
8
Si
4
0.000
987
Au
8
Si
4
0.000
988
Au
8
Si
4
0.000
989
Au
8
Si
4
0.000
990
Au
8
Si
4
0.000
991
Au
8
Si
4
0.000
992
Au
8
Si
4
0.000
993
Au
8
Si
4
0.000
994
Au
8
Si
4
0.000
995
Au
8
Si
4
0.000
996
Au
8
Si
4
0.000
997
Au
8
Si
4
0.000
998
Au
8
Si
4
0.000
999
Au
8
Si
4
0.000
1000
Au
8
Si
4
0.000
«
1
2
3
4
5
...
»