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 976-17 out of 17
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
✕
976
Au
8
Si
4
-44.335
977
Au
8
Si
4
-43.773
978
Au
8
Si
4
-43.772
979
Au
8
Si
4
-44.358
980
Au
8
Si
4
-44.340
981
Au
8
Si
4
-43.773
982
Au
8
Si
4
-44.336
983
Au
8
Si
4
-44.345
984
Au
8
Si
4
-44.345
985
Au
8
Si
4
-44.351
986
Au
8
Si
4
-44.339
987
Au
8
Si
4
-44.344
988
Au
8
Si
4
-44.354
989
Au
8
Si
4
-43.779
990
Au
8
Si
4
-44.348
991
Au
8
Si
4
-44.341
992
Au
8
Si
4
-44.342
993
Au
8
Si
4
-44.332
994
Au
8
Si
4
-44.334
995
Au
8
Si
4
-43.572
996
Au
8
Si
4
-43.799
997
Au
8
Si
4
-43.795
998
Au
8
Si
4
-44.333
999
Au
8
Si
4
-44.359
1000
Au
8
Si
4
-43.798
«
1
...
»