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 901-31 out of 31
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
✕
901
Au
8
Si
4
1443.704
902
Au
8
Si
4
1427.182
903
Au
8
Si
4
1426.833
904
Au
8
Si
4
1427.417
905
Au
8
Si
4
1427.077
906
Au
8
Si
4
1443.098
907
Au
8
Si
4
1426.065
908
Au
8
Si
4
1422.183
909
Au
8
Si
4
1427.073
910
Au
8
Si
4
1427.347
911
Au
8
Si
4
1427.545
912
Au
8
Si
4
1443.407
913
Au
8
Si
4
1443.923
914
Au
8
Si
4
1426.703
915
Au
8
Si
4
1443.943
916
Au
8
Si
4
1443.930
917
Au
8
Si
4
1446.674
918
Au
8
Si
4
1427.650
919
Au
8
Si
4
1424.037
920
Au
8
Si
4
1427.291
921
Au
8
Si
4
1426.966
922
Au
8
Si
4
1443.813
923
Au
8
Si
4
1427.543
924
Au
8
Si
4
1427.075
925
Au
8
Si
4
1426.740
«
1
2
...
»