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 1076-31 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)
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
✕
Energy
✕
1076
Au
8
Si
4
-44.332
1077
Au
8
Si
4
-44.332
1078
Au
8
Si
4
-43.770
1079
Au
8
Si
4
-43.779
1080
Au
8
Si
4
-44.349
1081
Au
8
Si
4
-44.345
1082
Au
8
Si
4
-44.347
1083
Au
8
Si
4
-44.347
1084
Au
8
Si
4
-44.357
1085
Au
8
Si
4
-43.780
1086
Au
8
Si
4
-44.345
1087
Au
8
Si
4
-44.350
1088
Au
8
Si
4
-44.360
1089
Au
8
Si
4
-44.345
1090
Au
8
Si
4
-43.797
1091
Au
8
Si
4
-44.350
1092
Au
8
Si
4
-44.351
1093
Au
8
Si
4
-44.327
1094
Au
8
Si
4
-44.351
1095
Au
8
Si
4
-44.345
1096
Au
8
Si
4
-44.343
1097
Au
8
Si
4
-44.348
1098
Au
8
Si
4
-44.347
1099
Au
8
Si
4
-44.340
1100
Au
8
Si
4
-43.778
«
1
2
...
»