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 1201-127 out of 127
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)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
ID
✕
Formula
✕
880
Au
8
Si
4
862
Au
8
Si
4
1092
Au
8
Si
4
1359
Au
8
Si
4
1094
Au
8
Si
4
311
Au
8
Si
4
1468
Au
8
Si
4
266
Au
8
Si
4
856
Au
8
Si
4
1001
Au
8
Si
4
1440
Au
8
Si
4
1579
Au
8
Si
4
985
Au
8
Si
4
193
Au
8
Si
4
1290
Au
8
Si
4
1286
Au
8
Si
4
965
Au
8
Si
4
1026
Au
8
Si
4
1196
Au
8
Si
4
285
Au
8
Si
4
932
Au
8
Si
4
136
Au
8
Si
4
844
Au
8
Si
4
1020
Au
8
Si
4
1323
Au
8
Si
4
«
1
2
3
4
5
...
»